SCHEMBL3866835

SCHEMBL3866835

Cc1ccc(F)cc1-n1nc(C)c(-c2ccccc2)c1N

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 10/20 0.58
NPC1 O15118 9/20 0.58
RAB9A P51151 9/20 0.58
MAPT P10636 6/20 0.50
TP53 P04637 4/20 0.49
HPGD P15428 5/20 0.47
NFKB1 P19838 3/20 0.47
NFKB2 Q00653 3/20 0.47
RELA Q04206 3/20 0.47
ALDH1A1 P00352 3/20 0.47
LMNA P02545 2/20 0.47
CASP3 P42574 2/20 0.47
SENP8 Q96LD8 2/20 0.47
SENP7 Q9BQF6 2/20 0.47
SENP6 Q9GZR1 2/20 0.47
MAPK1 P28482 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
GLA P06280 1/20 0.47
CCR6 P51684 1/20 0.47
POLB P06746 2/20 0.47

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
SCHEMBL15804263 0.86 CYP1A2 (0.45) SMN1; SMN2NPC1RAB9AMAPTALDH1A1
SCHEMBL27654283 0.85 SMN1; SMN2 (0.53) SMN1; SMN2NPC1RAB9AMAPTTP53
SCHEMBL3974032 0.83 SMN1; SMN2 (0.54) SMN1; SMN2NPC1RAB9AMAPTTP53
SCHEMBL19006011 0.82 FABP4 (0.42) SMN1; SMN2NPC1RAB9AMAPTHPGD
SCHEMBL15802230 0.82 NPC1 (0.40) SMN1; SMN2NPC1RAB9AMAPTTP53
SCHEMBL11577752 0.75 SMN1; SMN2 (1.00) SMN1; SMN2NPC1RAB9AMAPTTP53
SCHEMBL3683981 0.74 RAB9A (0.65) SMN1; SMN2NPC1RAB9AMAPTTP53
SCHEMBL10927961 0.73 MAPT (0.66) SMN1; SMN2NPC1RAB9AMAPTTP53
SCHEMBL5213173 0.71 CA1 (0.42) NPC1RAB9AMAPTTP53NFKB1
SCHEMBL17861266 0.69 POLB (0.41) SMN1; SMN2NPC1RAB9AMAPTALDH1A1

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 6 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
EP-1720863-A4 HETEROARYLAMINOPYRAZOLE DERIVATIVES USEFUL FOR THE TREATMENT OF DIABETES BAYER PHARMACEUTICALS CORP (US) 2009-04-22 EP disclosed
US-7517878-B2 Heteroarylaminopyrazole derivatives useful for the treatment of diabetes BAYER PHARAMCEUTICALS CORPORATION (US) 2009-04-14 US disclosed
EP-1720863-A2 HETEROARYLAMINOPYRAZOLE DERIVATIVES USEFUL FOR THE TREATMENT OF DIABETES Bayer Pharmaceuticals Corporation (US) 2006-11-15 EP disclosed
WO-2005086656-A2 HETEROARYLAMINOPYRAZOLE DERIVATIVES USEFUL FOR THE TREATMENT OF DIABETES BAYER PHARMACEUTICALS CORPORATION (US) 2005-09-22 WO 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 SMN1; SMN2 4413/4885NPC1 303/4885RAB9A 2873/4885
US-20090209451-A1 HETEROARYLAMINOPYRAZOLE DERIVATIVES USEFUL FOR THE TREATMENT OF DIABETES GPR119, GOT2, IAPP SMN1; SMN2 4413/4885NPC1 303/4885RAB9A 2873/4885

“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.