SCHEMBL3820125

SCHEMBL3820125

CNc1ncnc2cc[c]cc12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 7/20 0.43
CYP3A4 P08684 7/20 0.43
CYP2D6 P10635 6/20 0.43
CYP2C19 P33261 6/20 0.43
CLK4 Q9HAZ1 6/20 0.43
MAP4K4 O95819 2/20 0.43
TSHR P16473 1/20 0.43
ALDH1A1 P00352 5/20 0.43
HSD17B10 Q99714 4/20 0.43
MAPK1 P28482 2/20 0.43
LMNA P02545 5/20 0.41
USP2 O75604 1/20 0.41
CYP2C9 P11712 1/20 0.41
HPGD P15428 2/20 0.40
KDM4E B2RXH2 2/20 0.40
TDP1 Q9NUW8 1/20 0.40
PDPK1 O15530 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.38
TYK2 P29597 1/20 0.38
MEN1 O00255 1/20 0.36

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
SCHEMBL7648472 0.75 GALR3 (0.70) HSD17B10LMNASMN1; SMN2EGFRDYRK1A
SCHEMBL883724 0.73 EGFR (0.61) CYP1A2CYP3A4CYP2D6CYP2C19CLK4
SCHEMBL5896802 0.72 ABCG2 (0.34) CLK4MAP4K4EGFRERBB2DAPK3
SCHEMBL27975606 0.72 PDE4A (0.53) MAP4K4SMN1; SMN2DYRK1A
SCHEMBL2000322 0.72 PI4KA (0.53) MAP4K4
SCHEMBL5144493 0.70 EGFR (0.69) EGFRERBB2ABCG2HTT
SCHEMBL4586991 0.70 EGFR (0.56) EGFRERBB2MAPK14
SCHEMBL8297788 0.69 HTT (0.64) CYP1A2CYP3A4CYP2D6CYP2C19CLK4
SCHEMBL2622072 0.69 HTT (0.68) CYP1A2CYP3A4CYP2D6CYP2C19CLK4
SCHEMBL30708444 0.69 EGFR (0.56) EGFR

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 13 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090143355-A1 Substituted aryl-amine derivatives and methods of use AMGEN INC. (US) 2009-06-04 US claimed
EP-1773817-A1 SUBSTITUTED ARYL-AMINE DERIVATIVES AND METHODS OF USE Amgen Inc. (US) 2007-04-18 EP claimed
US-20060040966-A1 e.g. 2-(7-isoquinolinylamino)-N-(3-methyl-4-(1-methylethyl)phenyl)-3-pyridinecarboxamide; Vascular Endothelial Growth Factor antagonist; angiogenesis inhibitor; anticarcinogenic, antiinflammatory inhibitor; retinopathies, rheumatoid arthritis, asthma, atherosclerosis, endometriosis, neoplastic diseases AMGEN INC. 2006-02-23 US claimed
WO-2006012374-A1 SUBSTITUTED ARYL-AMINE DERIVATIVES AND METHODS OF USE AMGEN INC. (US) 2006-02-02 WO claimed
US-8247430-B2 Substituted aryl-amine derivatives and methods of use AMGEN INC. (US) 2012-08-21 US disclosed
EP-1773817-B1 SUBSTITUTED ARYL-AMINE DERIVATIVES AND METHODS OF USE AMGEN INC (US) 2009-08-26 EP disclosed
US-20090143355-A1 Substituted aryl-amine derivatives and methods of use AMGEN INC. (US) 2009-06-04 US disclosed
US-7507748-B2 Substituted aryl-amine derivatives and methods of use AMGEN INC. (US) 2009-03-24 US disclosed
EP-1773817-A1 SUBSTITUTED ARYL-AMINE DERIVATIVES AND METHODS OF USE Amgen Inc. (US) 2007-04-18 EP disclosed
EP-1773817-A1 SUBSTITUTED ARYL-AMINE DERIVATIVES AND METHODS OF USE Amgen Inc. (US) 2007-04-18 EP disclosed
US-20060040966-A1 e.g. 2-(7-isoquinolinylamino)-N-(3-methyl-4-(1-methylethyl)phenyl)-3-pyridinecarboxamide; Vascular Endothelial Growth Factor antagonist; angiogenesis inhibitor; anticarcinogenic, antiinflammatory inhibitor; retinopathies, rheumatoid arthritis, asthma, atherosclerosis, endometriosis, neoplastic diseases AMGEN INC. 2006-02-23 US disclosed
WO-2006012374-A1 SUBSTITUTED ARYL-AMINE DERIVATIVES AND METHODS OF USE AMGEN INC. (US) 2006-02-02 WO disclosed
WO-2006012374-A1 SUBSTITUTED ARYL-AMINE DERIVATIVES AND METHODS OF USE AMGEN INC. (US) 2006-02-02 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 (2 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-20060040966-A1 e.g. 2-(7-isoquinolinylamino)-N-(3-methyl-4-(1-methylethyl)phenyl)-3-pyridinecarboxamide; Vascular Endothelial Growth Factor antagonist; angiogenesis inhibitor; anticarcinogenic, antiinflammatory inhibitor; retinopathies, rheumatoid arthritis, asthma, atherosclerosis, endometriosis, neoplastic diseases EDNRA, PTGIS, EDNRB CYP1A2 221/4885CYP3A4 793/4885CYP2D6 464/4885
US-20090143355-A1 Substituted aryl-amine derivatives and methods of use FLT1, FLT4, NAT1 CYP1A2 24/4885CYP3A4 182/4885CYP2D6 91/4885

“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.