SCHEMBL4985353

SCHEMBL4985353

c1ccc2cc3ncncc3cc2c1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 9/20 0.65
PIK3CD O00329 1/20 0.56
PIK3CA P42336 1/20 0.56
PI4KA P42356 1/20 0.46
PI4K2B Q8TCG2 1/20 0.46
PI4K2A Q9BTU6 1/20 0.46
PI4KB Q9UBF8 1/20 0.46
NQO2 P16083 1/20 0.44
KDM4E B2RXH2 1/20 0.43
TDO2 P48775 2/20 0.43
CSNK1D P48730 1/20 0.42
CSNK1E P49674 1/20 0.42
CLK1 P49759 1/20 0.42
DYRK1A Q13627 1/20 0.42
ALDH1A1 P00352 1/20 0.41
GLA P06280 1/20 0.41
MAPT P10636 1/20 0.41
HPGD P15428 1/20 0.41
ACHE P22303 1/20 0.41
IMPDH2 P12268 1/20 0.40

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL31124778 1.00 EGFR (0.65) EGFRPIK3CDPIK3CAPI4KAPI4K2B
SCHEMBL8874014 0.86 EGFR (0.58) EGFRPIK3CDPIK3CATDO2CSNK1D
SCHEMBL7273128 0.83 EGFR (0.55) EGFRPIK3CDPIK3CAKDM4EALDH1A1
SCHEMBL9729774 0.83 CLK1 (0.61) EGFRPIK3CDPIK3CACSNK1DCSNK1E
SCHEMBL14044871 0.82 EGFR (0.53) EGFRPIK3CDPIK3CAKDM4EALDH1A1
Quinazoline SCHEMBL29490398 0.79 EGFR (1.00) EGFRPIK3CDPIK3CAKDM4ETDO2
Quinazoline SCHEMBL22833783 0.79 EGFR (1.00) EGFRPIK3CDPIK3CAKDM4ETDO2
Quinazoline SCHEMBL5920 0.79 EGFR (1.00) EGFRPIK3CDPIK3CAKDM4ETDO2
Quinazoline SCHEMBL29356169 0.79 EGFR (1.00) EGFRPIK3CDPIK3CAKDM4ETDO2
SCHEMBL30277791 0.79 NQO2 (0.41) EGFRPIK3CDPIK3CAPI4KAPI4K2B

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 60 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080171874-A1 METHOD FOR THE REGIOSELECTIVE PREPARATION OF SUBSTITUTED BENZO[G]QUINOLINE-3-CARBONITRILES AND BENZO[G]QUINAZOLINES WYETH (US) 2008-07-17 US claimed
US-20060041127-A1 Method for the regioselective preparation of substituted benzo[g]quinoline-3-carbonitriles and benzo[g]quinazolines WYETH 2006-02-23 US claimed
EP-1345889-A1 METHOD FOR THE REGIOSELECTIVE PREPARATION OF SUBSTITUTED BENZO G]QUINOLINE-3-CARBONITRILES AND BENZO G]QUINAZOLINES Wyeth (US) 2003-09-24 EP claimed
US-20020091273-A1 Method for the regioselective preparation of substituted benzo[g]quinoline3-carbonitriles and benzo[g]quinazolines AMERICAN HOME PRODUCTS CORPORATION 2002-07-11 US claimed
WO-2002053528-A1 METHOD FOR THE REGIOSELECTIVE PREPARATION OF SUBSTITUTED BENZO[G]QUINOLINE-3-CARBONITRILES AND BENZO[G]QUINAZOLINES WYETH (US) 2002-07-11 WO claimed
US-11829036-B2 Optically anisotropic multilayer product and method for producing same ZEON CORPORATION (JP) 2023-11-28 US disclosed
US-20230242556-A1 NOVEL METHOD FOR MANUFACTURING DEUTERATED BORON COMPOUND SFC CO., LTD. (KR) 2023-08-03 US disclosed
US-20230242556-A1 NOVEL METHOD FOR MANUFACTURING DEUTERATED BORON COMPOUND SFC CO., LTD. (KR) 2023-08-03 US disclosed
US-11672172-B2 Heterocyclic compound comprising aromatic amine group and organic light-emitting diode including the same SFC CO., LTD. (KR) 2023-06-06 US disclosed
US-20230002419-A1 NOVEL BORON COMPOUND AND ORGANIC LIGHT EMITTING DIODE INCLUDING SAME SFC CO., LTD. (KR) 2023-01-05 US disclosed
US-20220411452-A1 METAL COMPLEX AND APPLICATION THEREOF GUANGDONG AGLAIA OPTOELECTRONIC MATERIALS CO., LTD (CN) 2022-12-29 US disclosed
US-11482676-B2 Light emitting diode including boron compound SFC CO., LTD. (KR) 2022-10-25 US disclosed
US-20020091273-A1 Method for the regioselective preparation of substituted benzo[g]quinoline3-carbonitriles and benzo[g]quinazolines AMERICAN HOME PRODUCTS CORPORATION 2002-07-11 US disclosed
US-20020091273-A1 Method for the regioselective preparation of substituted benzo[g]quinoline3-carbonitriles and benzo[g]quinazolines AMERICAN HOME PRODUCTS CORPORATION 2002-07-11 US disclosed
WO-2002053528-A1 METHOD FOR THE REGIOSELECTIVE PREPARATION OF SUBSTITUTED BENZO[G]QUINOLINE-3-CARBONITRILES AND BENZO[G]QUINAZOLINES WYETH (US) 2002-07-11 WO disclosed
US-6355726-B1 MULTICOMPONENT UGI REACTION; ANTISENSE AGENTS, ANTIGENS; DIAGNOSIS; CONTROLLING GENE EXPRESSION BY POLYMERIC PEPTIDE NUCLEIC ACIDS MORPHOCHEM AG (DE) 2002-03-12 US disclosed
WO-2001025213-A2 PYRROLO IMIDAZOLE DERIVATIVES AND THEIR USE AS MEDICAMENTS MORPHOCHEM AG (DE) 2001-04-12 WO disclosed
WO-2001025212-A2 CYCLIC BIPHENYLS, METHOD FOR THE PRODUCTION THEREOF, AND THEIR USE AS MEDICAMENTS MORPHOCHEM AG (DE) 2001-04-12 WO disclosed
EP-0983290-A1 METHOD FOR PRODUCING POLYMERS HAVING NUCLEO-BASES AS SIDE-GROUPS Morphochem AG (DE) 2000-03-08 EP disclosed
WO-1998051697-A2 METHOD FOR PRODUCING POLYMERS HAVING NUCLEO-BASES AS SIDE-GROUPS MORPHOCHEM AG (DE) 1998-11-19 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (7 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20080171874-A1 METHOD FOR THE REGIOSELECTIVE PREPARATION OF SUBSTITUTED BENZO[G]QUINOLINE-3-CARBONITRILES AND BENZO[G]QUINAZOLINES PDXK, PKD1, GLS EGFR 1517/4885PIK3CD 987/4885PIK3CA 478/4885
US-20230002419-A1 NOVEL BORON COMPOUND AND ORGANIC LIGHT EMITTING DIODE INCLUDING SAME CLTB, CD79B, RB1 EGFR 2304/4885PIK3CD 2929/4885PIK3CA 2573/4885
US-20220411452-A1 METAL COMPLEX AND APPLICATION THEREOF CYBA, IK, COX4I1 EGFR 3612/4885PIK3CD 3143/4885PIK3CA 3821/4885
US-20230242556-A1 NOVEL METHOD FOR MANUFACTURING DEUTERATED BORON COMPOUND BCL6B, BRD7, DBF4 EGFR 3636/4885PIK3CD 2446/4885PIK3CA 2777/4885
US-20060041127-A1 Method for the regioselective preparation of substituted benzo[g]quinoline-3-carbonitriles and benzo[g]quinazolines PDXK, PKD1, GLS EGFR 1517/4885PIK3CD 987/4885PIK3CA 478/4885
US-20020091273-A1 Method for the regioselective preparation of substituted benzo[g]quinoline3-carbonitriles and benzo[g]quinazolines PDXK, PKD1, PFKP EGFR 1539/4885PIK3CD 1105/4885PIK3CA 532/4885
US-11672172-B2 Heterocyclic compound comprising aromatic amine group and organic light-emitting diode including the same DDC, TYR, AOC2 EGFR 2609/4885PIK3CD 4352/4885PIK3CA 4600/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.