SCHEMBL3301591

SCHEMBL3301591

Cc1cc(N)n(-c2cc(F)ccc2F)n1

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.49
CYP2C19 P33261 2/20 0.49
MAPK1 P28482 1/20 0.49
POLB P06746 3/20 0.46
ALDH1A1 P00352 4/20 0.45
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
LMNA P02545 4/20 0.44
SMN1; SMN2 Q16637 5/20 0.43
RAB9A P51151 4/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2C9 P11712 1/20 0.43
NPC1 O15118 2/20 0.40
ESR1 P03372 1/20 0.38
MAPT P10636 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
PKM P14618 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37

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
SCHEMBL3305547 0.87 CYP1A2 (0.49) CYP1A2CYP2C19MAPK1POLBALDH1A1
SCHEMBL1822343 0.83 ALDH1A1 (0.49) CYP1A2CYP2C19MAPK1POLBALDH1A1
SCHEMBL10925409 0.81 CYP1A2 (0.59) CYP1A2CYP2C19MAPK1POLBALDH1A1
SCHEMBL24455530 0.80 POLB (0.46) CYP1A2CYP2C19MAPK1POLBALDH1A1
SCHEMBL30555068 0.80 POLB (0.46) CYP1A2CYP2C19MAPK1POLBALDH1A1
SCHEMBL31388015 0.80 KDM4E (0.38) ALDH1A1MEN1KMT2ALMNASMN1; SMN2
SCHEMBL1408369 0.80 KDM4E (0.38) ALDH1A1MEN1KMT2ALMNASMN1; SMN2
SCHEMBL6765190 0.79 CYP1A2 (0.60) CYP1A2CYP2C19MAPK1POLBALDH1A1
SCHEMBL6284416 0.77 CYP1A2 (0.68) CYP1A2CYP2C19MAPK1POLBALDH1A1
SCHEMBL1820891 0.75 CYP1A2 (0.51) CYP1A2CYP2C19MAPK1POLBALDH1A1

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-20100099681-A1 SUBSTITUTED 5-AMINOPYRAZOLES AND USE THEREOF BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2010-04-22 US disclosed
US-20100099681-A1 SUBSTITUTED 5-AMINOPYRAZOLES AND USE THEREOF BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2010-04-22 US disclosed
US-20100099681-A1 SUBSTITUTED 5-AMINOPYRAZOLES AND USE THEREOF BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2010-04-22 US disclosed
WO-2010020363-A1 SUBSTITUTED 5-AMINOPYRAZOLES AND USE THEREOF BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2010-02-25 WO 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-20100099681-A1 SUBSTITUTED 5-AMINOPYRAZOLES AND USE THEREOF CYP3A5, ABAT, TPMT CYP1A2 53/4885CYP2C19 44/4885MAPK1 4445/4885

“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.