SCHEMBL4295664

SCHEMBL4295664

CCOC(=O)c1cccc(-n2nc(C)cc2N)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.56
ALDH1A1 P00352 3/20 0.56
CYP1A2 P05177 2/20 0.52
CYP2C19 P33261 2/20 0.52
MAPK1 P28482 1/20 0.52
ATM Q13315 1/20 0.50
ESRRA P11474 1/20 0.49
SMN1; SMN2 Q16637 4/20 0.49
LMNA P02545 1/20 0.49
KDM4E B2RXH2 2/20 0.49
HPGD P15428 1/20 0.49
HSD17B10 Q99714 1/20 0.49
ALOX15 P16050 1/20 0.48
HTT P42858 1/20 0.48
NPBWR1 P48145 1/20 0.47
MCHR1 Q99705 1/20 0.47
ALOX5 P09917 1/20 0.47
RAB9A P51151 2/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2C9 P11712 1/20 0.47

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
SCHEMBL2085500 0.86 ATM (0.47) KMT2AALDH1A1ATMESRRASMN1; SMN2
SCHEMBL398334 0.85 ALDH1A1 (0.48) KMT2AALDH1A1ATMESRRASMN1; SMN2
SCHEMBL4050492 0.85 ALDH1A1 (0.59) KMT2AALDH1A1CYP1A2CYP2C19MAPK1
SCHEMBL4051322 0.84 KLKB1 (0.49) KMT2AALDH1A1ATMESRRASMN1; SMN2
SCHEMBL2085677 0.84 RAB9A (0.56) KMT2AALDH1A1CYP2C19ESRRASMN1; SMN2
SCHEMBL11778309 0.84 ALDH1A1 (0.65) KMT2AALDH1A1CYP1A2CYP2C19MAPK1
SCHEMBL16317160 0.83 ATM (0.45) KMT2AALDH1A1ATMESRRASMN1; SMN2
SCHEMBL4233638 0.83 ATM (0.45) KMT2AALDH1A1CYP1A2CYP2C19ATM
SCHEMBL15362559 0.82 CYP1A2 (0.64) KMT2AALDH1A1CYP1A2CYP2C19MAPK1
SCHEMBL14454774 0.82 NPBWR1 (0.53) KMT2AALDH1A1ATMESRRASMN1; SMN2

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
US-20090312349-A1 ANTI-INFLAMMATORY MEDICAMENTS DECIPHERA PHARMACEUTICALS, LLC 2009-12-17 US disclosed
US-20090312349-A1 ANTI-INFLAMMATORY MEDICAMENTS DECIPHERA PHARMACEUTICALS, LLC 2009-12-17 US disclosed
US-20090312349-A1 ANTI-INFLAMMATORY MEDICAMENTS DECIPHERA PHARMACEUTICALS, LLC 2009-12-17 US disclosed
US-20070191336-A1 p38 kinase inhibitors DECIPHERA PHARMACEUTICALS, LLC 2007-08-16 US disclosed
US-20070191336-A1 p38 kinase inhibitors DECIPHERA PHARMACEUTICALS, LLC 2007-08-16 US disclosed
US-20070191336-A1 p38 kinase inhibitors DECIPHERA PHARMACEUTICALS, LLC 2007-08-16 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 (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-20090312349-A1 ANTI-INFLAMMATORY MEDICAMENTS ABL2, ABL1, PTK2 KMT2A 2977/4885ALDH1A1 1756/4885CYP1A2 3884/4885
US-20070191336-A1 p38 kinase inhibitors MAPK1, MAP3K8, MAP3K1 KMT2A 3389/4885ALDH1A1 3608/4885CYP1A2 4042/4885

“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.