SCHEMBL4037228

SCHEMBL4037228

COc1ccc(NC(=NC#N)Oc2ccccc2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.50
SMN1; SMN2 Q16637 6/20 0.50
HTT P42858 2/20 0.50
GAA P10253 1/20 0.50
MAPT P10636 5/20 0.49
MEN1 O00255 4/20 0.49
KMT2A Q03164 4/20 0.49
CYP1A2 P05177 3/20 0.49
CYP2C19 P33261 3/20 0.49
RAB9A P51151 9/20 0.47
NPC1 O15118 8/20 0.47
POLB P06746 1/20 0.45
NLRP3 Q96P20 1/20 0.45
CYP3A4 P08684 2/20 0.44
CYP2C9 P11712 2/20 0.44
CYP2D6 P10635 2/20 0.44
FAAH O00519 2/20 0.43
TRPV1 Q8NER1 1/20 0.43
USP2 O75604 1/20 0.42
MAPK1 P28482 1/20 0.42

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
SCHEMBL14257478 1.00 ALDH1A1 (0.50) ALDH1A1SMN1; SMN2HTTGAAMAPT
SCHEMBL2087130 0.88 KMT2A (0.43) ALDH1A1SMN1; SMN2HTTGAAMAPT
SCHEMBL12793870 0.88 KMT2A (0.43) ALDH1A1SMN1; SMN2HTTGAAMAPT
SCHEMBL4920373 0.88 KMT2A (0.43) ALDH1A1SMN1; SMN2HTTGAAMAPT
SCHEMBL23576281 0.87 KMT2A (0.43) ALDH1A1SMN1; SMN2GAAMAPTMEN1
SCHEMBL12708322 0.87 KMT2A (0.43) ALDH1A1SMN1; SMN2GAAMAPTMEN1
SCHEMBL16014631 0.85 DHODH (0.41) ALDH1A1SMN1; SMN2HTTMAPTMEN1
SCHEMBL16014632 0.85 DHODH (0.41) ALDH1A1SMN1; SMN2HTTMAPTMEN1
SCHEMBL4996691 0.84 KMT2A (0.44) ALDH1A1HTTMAPTMEN1KMT2A
SCHEMBL21396889 0.84 KMT2A (0.55) ALDH1A1SMN1; SMN2HTTGAAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1436291-B1 INDOLIZINES AS KINASE PROTEIN INHIBITORS AVENTIS PHARMA SA (FR) 2009-01-14 EP disclosed
US-20070238734-A1 JNK INHIBITORS SANOLI-AVENTIS (FR) 2007-10-11 US disclosed
US-7148215-B2 Prodrugs as antihistamines or anticarcinogenic agents AVENTIS PHARMA S.A. (FR) 2006-12-12 US disclosed
US-20050009831-A1 Pyrrolo[1,2-a]pyrazine-8-carboxamides are JNK inhibitors, useful as anticarcinogenic agents AVENTIS PHARMA S.A, (FR) 2005-01-13 US disclosed
EP-1436291-A2 INDOLIZINES AS KINASE PROTEIN INHIBITORS Aventis Pharma S.A. (FR) 2004-07-14 EP disclosed
WO-2003024967-A2 INDOLIZINES AS KINASE PROTEIN INHIBITORS AVENTIS PHARMA S.A. (FR) 2003-03-27 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-20070238734-A1 JNK INHIBITORS MAP3K7, MAPKAPK2, MAPK7 ALDH1A1 3369/4885SMN1; SMN2 3785/4885HTT 4096/4885
US-20050009831-A1 Pyrrolo[1,2-a]pyrazine-8-carboxamides are JNK inhibitors, useful as anticarcinogenic agents CNKSR1, ROS1, NRAS ALDH1A1 4117/4885SMN1; SMN2 4434/4885HTT 3598/4885

“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.