SCHEMBL178008

SCHEMBL178008

O=C(Nc1cc2ccccc2cn1)Nc1cccc2ccccc12

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 10/20 0.60
MAPT P10636 2/20 0.60
LMNA P02545 1/20 0.60
CHEK1 O14757 1/20 0.56
KMT2A Q03164 6/20 0.55
MEN1 O00255 5/20 0.55
USP2 O75604 1/20 0.55
POLB P06746 3/20 0.54
GSK3B P49841 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
ALDH1A1 P00352 3/20 0.53
HPGD P15428 2/20 0.53
NTRK1 P04629 1/20 0.53
NTRK3 Q16288 1/20 0.53
RAB9A P51151 3/20 0.52
NPC1 O15118 1/20 0.52
CDK5 Q00535 1/20 0.52
CDK5R1 Q15078 1/20 0.52
GAA P10253 1/20 0.51
GRIK1 P39086 1/20 0.50

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
SCHEMBL177901 0.82 KDM4E (0.61) KDM4EMAPTLMNACHEK1KMT2A
SCHEMBL1276481 0.81 KDM4E (0.82) KDM4EMAPTKMT2AMEN1POLB
SCHEMBL30393282 0.81 KDM4E (0.82) KDM4EMAPTKMT2AMEN1POLB
SCHEMBL3800344 0.79 GSK3A (0.74) KDM4EMAPTLMNACHEK1KMT2A
SCHEMBL177935 0.77 MAPK14 (0.61) KDM4EMAPTLMNAKMT2AMEN1
SCHEMBL14027385 0.76 KDM4E (0.66) KDM4EMAPTLMNAKMT2AMEN1
SCHEMBL2841751 0.75 NOTUM (0.57) KDM4ECHEK1ALDH1A1
SCHEMBL177776 0.74 RAB9A (0.63) MAPTCHEK1KMT2APOLBSMN1; SMN2
SCHEMBL6777779 0.74 KDM4E (0.57) KDM4EMAPTLMNAKMT2AMEN1
SCHEMBL177910 0.74 NPC1 (0.60) MAPTLMNACHEK1KMT2AMEN1

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 3671/4885MAPT 150/4885LMNA 3261/4885

“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.