SCHEMBL4960997

SCHEMBL4960997

Nc1cncn1-c1ccc(NC(=O)Nc2cc(-c3ccco3)nn2-c2ccc(F)cc2)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 7/20 0.53
PTK2 Q05397 2/20 0.45
KCNJ6 P48051 4/20 0.44
KCNJ5 P48544 4/20 0.44
KCNJ3 P48549 4/20 0.44
MAPT P10636 3/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
KDM4E B2RXH2 3/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
ALDH1A1 P00352 2/20 0.40
HPGD P15428 2/20 0.40
USP2 O75604 1/20 0.40
TSHR P16473 1/20 0.40

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
SCHEMBL3532225 0.84 PTGS1 (0.48) PTGS1PTK2KCNJ6KCNJ5KCNJ3
SCHEMBL4722719 0.82 PTGS1 (0.46) PTGS1PTK2KCNJ6KCNJ5KCNJ3
SCHEMBL3528696 0.82 PTK2 (0.59) PTGS1PTK2KCNJ6KCNJ5KCNJ3
SCHEMBL4962638 0.79 PTK2 (0.70) PTK2CYP2D6CYP2C9
SCHEMBL3532390 0.79 PTGS1 (0.44) PTGS1PTK2KCNJ6KCNJ5KCNJ3
SCHEMBL3534186 0.76 TTBK1 (0.49) PTGS1KCNJ6KCNJ5KCNJ3CYP3A4
SCHEMBL3536896 0.75 PTK2 (0.46) PTGS1PTK2KCNJ6KCNJ5KCNJ3
SCHEMBL3538302 0.74 PTGS1 (0.42) PTGS1KCNJ6KCNJ5KCNJ3MAPT
SCHEMBL2209824 0.73 MAPK14 (0.62) PTK2MEN1KMT2AMAPK1PTGS2
SCHEMBL3535023 0.73 MAPK14 (0.43) PTGS1PTK2KCNJ6KCNJ5KCNJ3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080207647-A1 Pyrazole Derivatives Having Tyrosine Kinase Activity MERCK PATENT GMBH (DE) 2008-08-28 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-20080207647-A1 Pyrazole Derivatives Having Tyrosine Kinase Activity TIE1, FER, ROS1 PTGS1 2302/4885PTK2 152/4885KCNJ6 1555/4885

“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.