SCHEMBL3973559

SCHEMBL3973559

Cc1ccccc1-n1nc(-c2ccccc2)cc1Nc1ncccc1C(N)=O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP4K2 Q12851 4/20 0.50
MAPT P10636 6/20 0.48
ALDH1A1 P00352 5/20 0.48
KDM4E B2RXH2 1/20 0.48
SMN1; SMN2 Q16637 4/20 0.47
RAB9A P51151 3/20 0.47
HPGD P15428 1/20 0.47
NPC1 O15118 2/20 0.46
AHR P35869 1/20 0.46
TP53 P04637 1/20 0.45
HTT P42858 1/20 0.43
MTOR P42345 1/20 0.43
NTRK1 P04629 1/20 0.43
POLB P06746 1/20 0.42
GRM5 P41594 1/20 0.42
LMNA P02545 1/20 0.42
CDC7 O00311 1/20 0.42
PLK4 O00444 1/20 0.42
DYRK3 O43781 1/20 0.42
ROCK2 O75116 1/20 0.42

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
SCHEMBL4248560 0.92 MAP4K2 (0.47) MAP4K2MAPTALDH1A1KDM4ESMN1; SMN2
SCHEMBL3861500 0.92 DHODH (0.50) MAPTALDH1A1KDM4ERAB9ANPC1
SCHEMBL3973042 0.85 DHODH (0.51) MAPTRAB9ANPC1POLBGRM5
SCHEMBL5008516 0.85 MAPT (0.49) MAPTALDH1A1KDM4ESMN1; SMN2RAB9A
SCHEMBL3980152 0.84 MAPK14 (0.56) MAP4K2MAPTALDH1A1SMN1; SMN2RAB9A
SCHEMBL3974452 0.84 LMNA (0.48) MAP4K2MAPTALDH1A1SMN1; SMN2RAB9A
SCHEMBL3859778 0.83 LMNA (0.50) MAPTALDH1A1RAB9ANPC1TP53
SCHEMBL3979999 0.83 RAB9A (0.47) MAP4K2MAPTALDH1A1SMN1; SMN2RAB9A
SCHEMBL3976796 0.82 MAPT (0.44) MAPTALDH1A1KDM4ERAB9ANPC1
SCHEMBL3974880 0.82 MAPT (0.42) MAPTALDH1A1KDM4ERAB9ANPC1

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 MAP4K2 1031/4885MAPT 3713/4885ALDH1A1 943/4885
US-20090209451-A1 HETEROARYLAMINOPYRAZOLE DERIVATIVES USEFUL FOR THE TREATMENT OF DIABETES GPR119, GOT2, IAPP MAP4K2 1031/4885MAPT 3713/4885ALDH1A1 943/4885

“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.