SCHEMBL534867

SCHEMBL534867

[CH2]CCc1ccc(Cl)cc1N

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 5/20 0.48
SMN1; SMN2 Q16637 4/20 0.48
TSHR P16473 3/20 0.48
ALDH1A1 P00352 3/20 0.48
ALOX15 P16050 2/20 0.48
TDP1 Q9NUW8 1/20 0.48
TP53 P04637 1/20 0.46
MAPK1 P28482 2/20 0.43
HPGD P15428 2/20 0.43
ALOX12 P18054 1/20 0.43
HSD17B10 Q99714 1/20 0.43
IDO1 P14902 3/20 0.38
KMT2A Q03164 2/20 0.38
GAA P10253 1/20 0.38
CYP1A2 P05177 3/20 0.36
CYP2C9 P11712 3/20 0.36
CYP2C19 P33261 3/20 0.36
KDM4E B2RXH2 1/20 0.36
MEN1 O00255 1/20 0.36
CYP2D6 P10635 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
SCHEMBL11778076 0.87 CYP3A4 (0.56) CYP3A4SMN1; SMN2TSHRALDH1A1ALOX15
SCHEMBL28227543 0.81 CYP3A4 (0.50) CYP3A4SMN1; SMN2TSHRALDH1A1ALOX15
SCHEMBL13245880 0.81 TSHR (0.50) CYP3A4SMN1; SMN2TSHRALDH1A1ALOX15
SCHEMBL29684504 0.79 SMN1; SMN2 (0.48) CYP3A4SMN1; SMN2TSHRALDH1A1ALOX15
SCHEMBL3788457 0.79 CYP3A4 (0.48) CYP3A4SMN1; SMN2TSHRALDH1A1ALOX15
SCHEMBL7865951 0.79 SMN1; SMN2 (0.48) CYP3A4SMN1; SMN2TSHRALDH1A1ALOX15
SCHEMBL398220 0.78 IDO1 (0.56) CYP3A4SMN1; SMN2TP53MAPK1IDO1
SCHEMBL2671978 0.78 CASP1 (0.39) CYP3A4TSHRALDH1A1TDP1TP53
SCHEMBL9629784 0.78 SMN1; SMN2 (0.56) CYP3A4SMN1; SMN2TSHRALDH1A1ALOX15
SCHEMBL11777623 0.78 CYP3A4 (0.46) CYP3A4SMN1; SMN2TSHRALDH1A1ALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160207938-A1 QUINAZOLINE DERIVATIVES JANSSEN PHARMACEUTICA NV (BE) 2016-07-21 US disclosed
US-9273013-B2 Quinazoline derivatives JANSSEN PHARMACEUTICA NV (BE) 2016-03-01 US disclosed
CN-102718775-B As the Macrocyclic quinazoline derivatives of antiproliferative JANSSEN PHARMACEUTICA N.V. (BE) 2016-02-17 CN disclosed
US-20130178624-A1 QUINAZOLINE DERIVATIVES JANSSEN PHARMACEUTICA N.V. (BE) 2013-07-11 US disclosed
US-8394786-B2 Quinazoline derivatives JANSSEN PHARMACEUTICA N.V. (BE) 2013-03-12 US disclosed
CN-102718775-A Macrocyclic quinazoline derivatives as antiproliferative agents JANSSEN PHARMACEUTICA NV 2012-10-10 CN disclosed
EP-1633365-B1 MACROCYCLIC QUINAZOLINE DERIVATIVES AS ANTIPROLIFERATIVE AGENTS JANSSEN PHARMACEUTICA NV (BE) 2012-02-08 EP disclosed
EP-2305687-A1 Quinazoline derivatives Janssen Pharmaceutica NV (BE) 2011-04-06 EP disclosed
US-20100105668-A1 Quinazoline derivatives FREYNE EDDY JEAN EDGARD 2010-04-29 US disclosed
US-7648975-B2 Macrocyclic quinazoline derivatives as antiproliferative agents JANSSEN PHARMACEUTICA N.V. (BE) 2010-01-19 US disclosed
US-20060247237-A1 Macrocyclic quinazoline derivatives as antiproliferative agents JANSSEN PHARMACEUTICA N.V. (BE) 2006-11-02 US disclosed
CN-1794996-A Macrocyclic quinazoline derivatives as antiproliferative agents JANSSEN PHARMACEUTICA NV (BE) 2006-06-28 CN disclosed
EP-1633365-A1 MACROCYCLIC QUINAZOLINE DERIVATIVES AS ANTIPROLIFERATIVE AGENTS JANSSEN PHARMACEUTICA N.V. (BE) 2006-03-15 EP disclosed
WO-2004105765-A1 MACROCYCLIC QUINAZOLINE DERIVATIVES AS ANTIPROLIFERATIVE AGENTS JANSSEN PHARMACEUTICA N.V. (BE) 2004-12-09 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 (4 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-20130178624-A1 QUINAZOLINE DERIVATIVES NR1H2, NR1H3, NR3C2 CYP3A4 105/4885SMN1; SMN2 4819/4885TSHR 496/4885
US-20060247237-A1 Macrocyclic quinazoline derivatives as antiproliferative agents NR1H3, NR1H2, NCOA3 CYP3A4 112/4885SMN1; SMN2 4331/4885TSHR 1295/4885
US-20100105668-A1 Quinazoline derivatives NR1H2, NR1H3, NR3C2 CYP3A4 125/4885SMN1; SMN2 4820/4885TSHR 433/4885
US-20160207938-A1 QUINAZOLINE DERIVATIVES NR1H2, NR1H3, NR3C2 CYP3A4 83/4885SMN1; SMN2 4592/4885TSHR 362/4885

“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.