SCHEMBL3975648

SCHEMBL3975648

Cc1cc(C)c(C(N)=O)c(Nc2cc(-c3ccc(F)cc3)nn2-c2ccccc2C)n1

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.48
ALDH1A1 P00352 5/20 0.46
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
TP53 P04637 1/20 0.46
BLM P54132 1/20 0.46
MAPT P10636 6/20 0.43
KDM4E B2RXH2 4/20 0.43
CYP1A2 P05177 1/20 0.43
HPGD P15428 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
HTT P42858 2/20 0.41
LMNA P02545 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
GAA P10253 2/20 0.40
PKM P14618 1/20 0.40
GRM5 P41594 1/20 0.39

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
SCHEMBL3974034 0.92 ALDH1A1 (0.49) HSD17B10ALDH1A1MEN1KMT2ATP53
SCHEMBL3973998 0.91 HSD17B10 (0.44) HSD17B10ALDH1A1MEN1KMT2ATP53
SCHEMBL3979965 0.90 HSD17B10 (0.42) HSD17B10ALDH1A1MEN1KMT2ATP53
SCHEMBL3973215 0.87 MAPT (0.41) ALDH1A1TP53MAPTKDM4EHPGD
SCHEMBL3981181 0.84 KDM4E (0.48) HSD17B10ALDH1A1MEN1KMT2ATP53
SCHEMBL3974168 0.82 ADORA1 (0.47) ALDH1A1TP53MAPTHTTLMNA
SCHEMBL4248560 0.81 MAP4K2 (0.47) ALDH1A1MEN1KMT2AMAPTKDM4E
SCHEMBL3979041 0.81 MAPK14 (0.55) HSD17B10ALDH1A1MEN1KMT2ATP53
SCHEMBL3975028 0.77 SMN1; SMN2 (0.38) HSD17B10ALDH1A1MEN1KMT2ATP53
SCHEMBL3975999 0.76 ADORA1 (0.47) ALDH1A1TP53MAPTKDM4ELMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090209451-A1 HETEROARYLAMINOPYRAZOLE DERIVATIVES USEFUL FOR THE TREATMENT OF DIABETES BAYER PHARMACEUTICALS CORPORATION (US) 2009-08-20 US disclosed
US-20090209451-A1 HETEROARYLAMINOPYRAZOLE DERIVATIVES USEFUL FOR THE TREATMENT OF DIABETES BAYER PHARMACEUTICALS CORPORATION (US) 2009-08-20 US disclosed
US-20090209451-A1 HETEROARYLAMINOPYRAZOLE DERIVATIVES USEFUL FOR THE TREATMENT OF DIABETES BAYER PHARMACEUTICALS CORPORATION (US) 2009-08-20 US disclosed
US-7517878-B2 Heteroarylaminopyrazole derivatives useful for the treatment of diabetes BAYER PHARAMCEUTICALS CORPORATION (US) 2009-04-14 US disclosed
US-7517878-B2 Heteroarylaminopyrazole derivatives useful for the treatment of diabetes BAYER PHARAMCEUTICALS CORPORATION (US) 2009-04-14 US disclosed
US-7517878-B2 Heteroarylaminopyrazole derivatives useful for the treatment of diabetes BAYER PHARAMCEUTICALS CORPORATION (US) 2009-04-14 US disclosed
US-20050192294-A1 Heteroarylaminopyrazole derivatives useful for the treatment of diabetes BAYER PHARMACEUTICALS CORPORATION (US) 2005-09-01 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-20050192294-A1 Heteroarylaminopyrazole derivatives useful for the treatment of diabetes GPR119, GOT2, IAPP HSD17B10 320/4885ALDH1A1 943/4885MEN1 3766/4885
US-20090209451-A1 HETEROARYLAMINOPYRAZOLE DERIVATIVES USEFUL FOR THE TREATMENT OF DIABETES GPR119, GOT2, IAPP HSD17B10 320/4885ALDH1A1 943/4885MEN1 3766/4885

“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.