SCHEMBL177901

SCHEMBL177901

O=C(Nc1cc2ccccc2cn1)Nc1cccc(Cl)c1Cl

nearest known ligand 0.61

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.61
MEN1 O00255 6/20 0.56
KMT2A Q03164 6/20 0.56
MAPT P10636 4/20 0.56
LMNA P02545 2/20 0.56
RAB9A P51151 3/20 0.54
CHEK1 O14757 1/20 0.53
MAPK14 Q16539 3/20 0.53
ALDH1A1 P00352 1/20 0.52
CASP3 P42574 1/20 0.50
SENP8 Q96LD8 1/20 0.50
SENP7 Q9BQF6 1/20 0.50
NPC1 O15118 1/20 0.50
CDK5 Q00535 1/20 0.49
CDK5R1 Q15078 1/20 0.49
CDK8 P49336 1/20 0.49
MAPK1 P28482 2/20 0.48

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
SCHEMBL178008 0.82 KDM4E (0.60) KDM4EMEN1KMT2AMAPTLMNA
SCHEMBL5594611 0.79 MEN1 (0.63) KDM4EMEN1KMT2AMAPTLMNA
SCHEMBL10710090 0.78 MEN1 (0.79) KDM4EMEN1KMT2AMAPTLMNA
SCHEMBL177805 0.73 MAPK14 (0.62) KDM4EMEN1KMT2ARAB9AMAPK14
SCHEMBL1518663 0.73 MEN1 (0.59) KDM4EMEN1KMT2AMAPTLMNA
SCHEMBL10530781 0.72 MEN1 (1.00) KDM4EMEN1KMT2AMAPTLMNA
SCHEMBL27575357 0.72 MEN1 (0.71) KDM4EMEN1KMT2AMAPTLMNA
SCHEMBL19900294 0.72 KMT2A (0.57) KDM4EKMT2AMAPTRAB9ACHEK1
SCHEMBL30151358 0.72 KMT2A (0.57) KDM4EKMT2AMAPTRAB9ACHEK1
SCHEMBL2841751 0.72 NOTUM (0.57) KDM4ECHEK1ALDH1A1

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-2386545-A1 Heteroaryl ureas containing nitrogen hetero-atoms as P38 kinase inhibitors Bayer Healthcare LLC (US) 2011-11-16 EP claimed
JP-4359817-B2 2009-11-11 JP claimed
JP-2004537511-A 2004-12-16 JP claimed
EP-1379507-A1 HETEROARYL UREAS CONTAINING NITROGEN HETERO-ATOMS AS p38 KINASE INHIBITORS Bayer Corporation (US) 2004-01-14 EP claimed
WO-2002085859-A1 HETEROARYL UREAS CONTAINING NITROGEN HETERO-ATOMS AS p38 KINASE INHIBITORS BAYER CORPORATION (US) 2002-10-31 WO claimed
US-20020065296-A1 Heteroaryl ureas containing nitrogen hetero-atoms as p38 kinase inhibitors BAYER CORPORATION 2002-05-30 US claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 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-20020065296-A1 Heteroaryl ureas containing nitrogen hetero-atoms as p38 kinase inhibitors MAPK1, MAP3K1, MAPK3 KDM4E 3671/4885MEN1 4582/4885KMT2A 3163/4885

“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.