SCHEMBL4632612

SCHEMBL4632612

CCOC(=O)n1nc(NC(=O)c2ccc(F)cc2)c2cc(C(=O)NC(CC)(CC)c3ccccc3)sc21

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 5/20 0.41
ADORA3 P0DMS8 4/20 0.41
ADORA1 P30542 4/20 0.41
BRAF P15056 1/20 0.40
KDM4E B2RXH2 4/20 0.39
LMNA P02545 2/20 0.39
NPSR1 Q6W5P4 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
KMT2A Q03164 2/20 0.37
MAPT P10636 3/20 0.37
TP53 P04637 2/20 0.37
ALDH1A1 P00352 2/20 0.37
HPGD P15428 1/20 0.37
ELANE P08246 1/20 0.36
MEN1 O00255 1/20 0.36

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
SCHEMBL4633164 0.92 ABL1 (0.44) ADORA2AADORA3ADORA1BRAFKDM4E
SCHEMBL742843 0.86 LMNA (0.47) ADORA2AADORA3ADORA1BRAFKDM4E
SCHEMBL746264 0.83 LMNA (0.41) ADORA2AADORA3ADORA1BRAFKDM4E
SCHEMBL742629 0.83 AURKA (0.46) ADORA2AADORA3ADORA1BRAFKDM4E
SCHEMBL742441 0.83 ADORA2A (0.46) ADORA2AADORA3ADORA1BRAFKDM4E
SCHEMBL741756 0.82 BRAF (0.39) ADORA2AADORA3ADORA1BRAFKDM4E
SCHEMBL741094 0.82 ABL1 (0.48) ADORA2AADORA3ADORA1KDM4ELMNA
SCHEMBL740605 0.81 BRAF (0.38) ADORA2AADORA3ADORA1BRAFKDM4E
SCHEMBL740940 0.80 ALDH1A1 (0.44) ADORA2AADORA3ADORA1BRAFLMNA
SCHEMBL1433977 0.80 ABL1 (0.41) KDM4ELMNANPSR1SMN1; SMN2KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8481584-B2 1H-thieno[2,3-c]pyrazole derivatives useful as kinase inhibitors NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2013-07-09 US disclosed
US-20120165311-A1 1H-THIENO[2,3-C]PYRAZOLE DERIVATIVES USEFUL AS KINASE INHIBITORS NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2012-06-28 US disclosed
EP-1711177-B1 1H-THIENO 2,3-c PYRAZOLE DERIVATIVES USEFUL AS KINASE I INHIBITORS PFIZER ITALIA SRL (IT) 2008-05-28 EP 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-20120165311-A1 1H-THIENO[2,3-C]PYRAZOLE DERIVATIVES USEFUL AS KINASE INHIBITORS MAP3K19, MAP3K1, MAP3K3 ADORA2A 2399/4885ADORA3 1884/4885ADORA1 2849/4885

“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.