SCHEMBL3975969

SCHEMBL3975969

Cc1ccccc1-n1nc(-c2ccccc2)cc1Nc1ncc(F)cc1C(=O)O

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.44
MAPT P10636 4/20 0.43
ALDH1A1 P00352 2/20 0.43
KDM4E B2RXH2 1/20 0.42
ADORA1 P30542 2/20 0.42
TP53 P04637 1/20 0.42
LDHA P00338 1/20 0.41
KCNJ6 P48051 1/20 0.41
KCNJ5 P48544 1/20 0.41
KCNJ3 P48549 1/20 0.41
GRM5 P41594 2/20 0.41
DHODH Q02127 1/20 0.41
MAPK13 O15264 1/20 0.40
MAPK12 P53778 1/20 0.40
MAPK11 Q15759 1/20 0.40
MAPK14 Q16539 1/20 0.40
POLB P06746 2/20 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
SCHEMBL3975999 0.96 ADORA1 (0.47) LMNAMAPTALDH1A1KDM4EADORA1
SCHEMBL3975682 0.85 MAPT (0.41) LMNAMAPTALDH1A1ADORA1TP53
SCHEMBL3982464 0.85 MAPK14 (0.59) LMNAMAPK13MAPK12MAPK11MAPK14
SCHEMBL3861500 0.85 DHODH (0.50) LMNAMAPTALDH1A1KDM4EADORA1
SCHEMBL3973042 0.84 DHODH (0.51) LMNAMAPTADORA1GRM5DHODH
SCHEMBL4249083 0.84 KCNJ6 (0.47) LMNAKCNJ6KCNJ5KCNJ3
SCHEMBL3974589 0.83 KCNJ6 (0.47) LMNAKCNJ6KCNJ5KCNJ3
SCHEMBL5008839 0.82 ADORA1 (0.47) LMNAMAPTALDH1A1KDM4EADORA1
SCHEMBL3974125 0.81 ALDH1A1 (0.46) LMNAMAPTALDH1A1KDM4EADORA1
SCHEMBL3974462 0.80 DHODH (0.48) LMNAMAPTGRM5DHODH

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 LMNA 3423/4885MAPT 3713/4885ALDH1A1 943/4885
US-20090209451-A1 HETEROARYLAMINOPYRAZOLE DERIVATIVES USEFUL FOR THE TREATMENT OF DIABETES GPR119, GOT2, IAPP LMNA 3423/4885MAPT 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.