SCHEMBL9101701

SCHEMBL9101701

COCC(=O)N1CCC(NC(=O)c2c(C)[nH]c3c(-c4cc(C)ccc4OCC4CC4)ccnc23)CC1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM2B Q8NHM5 1/20 0.38
KDM4C Q9H3R0 1/20 0.38
CCNT1 O60563 7/20 0.37
CDK9 P50750 7/20 0.37
BTK Q06187 1/20 0.34
KMT2A Q03164 2/20 0.34
MEN1 O00255 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
LMNA P02545 2/20 0.34
POLB P06746 1/20 0.34
MAPK1 P28482 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
NOS3 P29474 1/20 0.33
NOS1 P29475 1/20 0.33
NOS2 P35228 1/20 0.33
HPGD P15428 1/20 0.33
AXL P30530 1/20 0.33
CHEK1 O14757 1/20 0.33
PDCD1 Q15116 1/20 0.33
CD274 Q9NZQ7 1/20 0.33

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
SCHEMBL9106705 0.94 CCNT1 (0.40) KDM2BKDM4CCCNT1CDK9KMT2A
SCHEMBL1437472 0.93 CCNT1 (0.38) CCNT1CDK9KMT2AMEN1LMNA
SCHEMBL9103928 0.93 CCNT1 (0.45) CCNT1CDK9
SCHEMBL9107573 0.92 EPHX2 (0.39) KDM2BKDM4CCCNT1CDK9BTK
SCHEMBL9107708 0.91 KDM2B (0.39) KDM2BKDM4CCCNT1CDK9LMNA
SCHEMBL9103522 0.91 KDM2B (0.41) KDM2BKDM4CCCNT1CDK9KMT2A
SCHEMBL9101876 0.89 HPGD (0.41) KDM2BKDM4CCCNT1CDK9SMN1; SMN2
SCHEMBL9108928 0.89 HPGD (0.41) KDM2BKDM4CCCNT1CDK9SMN1; SMN2
SCHEMBL9101881 0.89 HPGD (0.41) KDM2BKDM4CCCNT1CDK9SMN1; SMN2
SCHEMBL9898121 0.89 KDM2B (0.36) KDM2BKDM4CBTKKMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8816085-B2 Methylpyrrolopyridinecarboxamides TAKEDA GMBH (DE) 2014-08-26 US claimed
US-20120142633-A1 METHYLPYRROLOPYRIDINECARBOXAMIDES NYCOMED GMBH (DE) 2012-06-07 US claimed
US-8816085-B2 Methylpyrrolopyridinecarboxamides TAKEDA GMBH (DE) 2014-08-26 US disclosed
US-20120142633-A1 METHYLPYRROLOPYRIDINECARBOXAMIDES NYCOMED GMBH (DE) 2012-06-07 US 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 (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-20120142633-A1 METHYLPYRROLOPYRIDINECARBOXAMIDES PDE5A, PDE3A, PDE2A KDM2B 274/4885KDM4C 134/4885CCNT1 1888/4885

“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.