SCHEMBL1602164

SCHEMBL1602164

O=c1[nH]nc2ccc3ccccc3n12

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 10/20 0.54
SMN1; SMN2 Q16637 1/20 0.46
PBRM1 Q86U86 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
GRM2 Q14416 1/20 0.40
ADORA1 P30542 2/20 0.40
CA12 O43570 1/20 0.39
BRD4 O60885 1/20 0.39
BRPF1 P55201 1/20 0.39
CA9 Q16790 1/20 0.39
KAT2B Q92831 1/20 0.39
BRD9 Q9H8M2 1/20 0.39
NOTUM Q6P988 1/20 0.39
PDE5A O76074 3/20 0.38
PDE1A P54750 3/20 0.38
PDE1B Q01064 3/20 0.38
PDE3B Q13370 3/20 0.38
PDE1C Q14123 3/20 0.38
PDE3A Q14432 3/20 0.38
RAB9A P51151 1/20 0.38

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
SCHEMBL5470130 0.75 CHEK1 (0.46) CHEK1
SCHEMBL5465852 0.75 CHEK1 (0.38) CHEK1L3MBTL1NOTUMPDE5APDE1A
SCHEMBL5478059 0.75 CHEK1 (0.45) CHEK1
SCHEMBL5475521 0.73 CHEK1 (0.52) CHEK1NOTUM
SCHEMBL14492478 0.73 CHEK1 (0.52) CHEK1GRM2
SCHEMBL560634 0.72 MAPT (0.54) CHEK1SMN1; SMN2ADORA1PDE1APDE1B
SCHEMBL5470155 0.71 CHEK1 (0.70) CHEK1GRM2RAB9A
SCHEMBL5483336 0.70 CHEK1 (0.68) CHEK1GRM2RAB9A
SCHEMBL5475307 0.70 ADORA1 (0.45) CHEK1GRM2ADORA1PDE5APDE1A
SCHEMBL5470798 0.70 CHEK1 (1.00) CHEK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0027002-B1 1,2,4-TRIAZOLO (4,3-A) QUINOLIN-1 (2H)-ONES AND THE COMPOUNDS FOR USE AS PHARMACEUTICALS Bristol-Myers Company (US) 1984-07-11 EP claimed
US-20150175603-A1 TRICYCLIC COMPOUNDS AS KAT II INHIBITORS PFIZER (US) 2015-06-25 US disclosed
US-20110112106-A1 TRICYCLIC INHIBITORS OF 5-LIPOXYGENASE AMIRA PHARMACEUTICALS, INC. (US) 2011-05-12 US disclosed
US-7919621-B2 Tricyclic inhibitors of 5-lipoxygenase AMIRA PHARMACEUTICALS, INC. (US) 2011-04-05 US disclosed
US-20070173508-A1 TRICYCLIC INHIBITORS OF 5-LIPOXYGENASE AMIRA PHARMACEUTICALS, INC. (US) 2007-07-26 US disclosed
US-20070149560-A1 Novel fused triazolones and the uses thereof ASTRAZENECA AB (SE) 2007-06-28 US disclosed
US-20070149560-A1 Novel fused triazolones and the uses thereof ASTRAZENECA AB (SE) 2007-06-28 US disclosed
EP-0027002-B1 1,2,4-TRIAZOLO (4,3-A) QUINOLIN-1 (2H)-ONES AND THE COMPOUNDS FOR USE AS PHARMACEUTICALS Bristol-Myers Company (US) 1984-07-11 EP disclosed
EP-0027002-B1 1,2,4-TRIAZOLO (4,3-A) QUINOLIN-1 (2H)-ONES AND THE COMPOUNDS FOR USE AS PHARMACEUTICALS Bristol-Myers Company (US) 1984-07-11 EP disclosed
EP-0027002-A1 1,2,4-Triazolo (4,3-a) quinolin-1 (2H)-ones and the compounds for use as pharmaceuticals Bristol-Myers Company (US) 1981-04-15 EP 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-20070173508-A1 TRICYCLIC INHIBITORS OF 5-LIPOXYGENASE ALOX5, ALOX15, ALOX15B CHEK1 4162/4885SMN1; SMN2 4594/4885PBRM1 4396/4885
US-20110112106-A1 TRICYCLIC INHIBITORS OF 5-LIPOXYGENASE ALOX5, ALOX15, ALOX15B CHEK1 4162/4885SMN1; SMN2 4594/4885PBRM1 4396/4885
US-20150175603-A1 TRICYCLIC COMPOUNDS AS KAT II INHIBITORS KAT2A, KAT2B, KAT7 CHEK1 2342/4885SMN1; SMN2 2015/4885PBRM1 1944/4885
US-20070149560-A1 Novel fused triazolones and the uses thereof TP53, BRCA1, KLK3 CHEK1 13/4885SMN1; SMN2 4251/4885PBRM1 1059/4885

“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.