SCHEMBL4037230

SCHEMBL4037230

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

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.72
NOS3 P29474 2/20 0.42
HTR3E A5X5Y0 1/20 0.42
HTR3B O95264 1/20 0.42
HTR3A P46098 1/20 0.42
HTR3D Q70Z44 1/20 0.42
HTR3C Q8WXA8 1/20 0.42
ALDH1A1 P00352 4/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
GAA P10253 1/20 0.40
HTT P42858 1/20 0.40
CA4 P22748 1/20 0.40
PRSS1 P07477 1/20 0.40
ACR P10323 1/20 0.40
LTA4H P09960 1/20 0.40
IMPDH2 P12268 1/20 0.38
MAPT P10636 3/20 0.38
KDM4E B2RXH2 1/20 0.38
HPGD P15428 1/20 0.38
NPC1 O15118 2/20 0.37

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
SCHEMBL2087129 0.88 KMT2A (0.80) KMT2ANOS3HTR3EHTR3BHTR3A
SCHEMBL3402743 0.88 KMT2A (0.80) KMT2ANOS3HTR3EHTR3BHTR3A
SCHEMBL2087128 0.88 KMT2A (0.80) KMT2ANOS3HTR3EHTR3BHTR3A
SCHEMBL5636135 0.84 KMT2A (0.74) KMT2ANOS3ALDH1A1SMN1; SMN2GAA
SCHEMBL5636133 0.84 KMT2A (0.74) KMT2ANOS3ALDH1A1SMN1; SMN2GAA
SCHEMBL2088643 0.84 KMT2A (0.62) KMT2AHTR3EHTR3BHTR3AHTR3D
SCHEMBL2088642 0.84 KMT2A (0.62) KMT2AHTR3EHTR3BHTR3AHTR3D
SCHEMBL2088566 0.81 KMT2A (0.59) KMT2AALDH1A1SMN1; SMN2IMPDH2MAPT
SCHEMBL2088564 0.81 KMT2A (0.59) KMT2AALDH1A1SMN1; SMN2IMPDH2MAPT
SCHEMBL9273040 0.81 KMT2A (0.70) KMT2AALDH1A1SMN1; SMN2GAAPRSS1

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 KMT2A 2686/4885NOS3 2925/4885HTR3E 3725/4885
US-20050009831-A1 Pyrrolo[1,2-a]pyrazine-8-carboxamides are JNK inhibitors, useful as anticarcinogenic agents CNKSR1, ROS1, NRAS KMT2A 1910/4885NOS3 379/4885HTR3E 1685/4885

“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.