SCHEMBL3860413

SCHEMBL3860413

Cc1ccc(C)c(-n2nc(-c3ccc(F)cc3)cc2N)c1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 9/20 0.68
SMN1; SMN2 Q16637 9/20 0.68
NPC1 O15118 8/20 0.68
MEN1 O00255 6/20 0.68
KMT2A Q03164 6/20 0.68
LMNA P02545 4/20 0.68
MAPT P10636 7/20 0.57
ALDH1A1 P00352 7/20 0.57
TP53 P04637 2/20 0.56
CYP2C19 P33261 2/20 0.56
CYP1A2 P05177 1/20 0.56
CYP3A4 P08684 1/20 0.56
CYP2C9 P11712 1/20 0.56
L3MBTL1 Q9Y468 2/20 0.52
TSHR P16473 2/20 0.52
STAT1 P42224 1/20 0.52
NPY5R Q15761 5/20 0.51
KDM4E B2RXH2 5/20 0.45
GAA P10253 3/20 0.45
MAPK1 P28482 1/20 0.45

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
SCHEMBL3869440 0.84 MAPT (0.79) RAB9ASMN1; SMN2NPC1MEN1KMT2A
SCHEMBL28906662 0.81 RAB9A (1.00) RAB9ASMN1; SMN2NPC1MEN1KMT2A
SCHEMBL3304391 0.76 ALDH1A1 (0.56) RAB9ASMN1; SMN2NPC1MEN1KMT2A
SCHEMBL3864415 0.73 SMN1; SMN2 (0.55) RAB9ASMN1; SMN2NPC1MEN1KMT2A
SCHEMBL1913687 0.72 MAPT (1.00) RAB9ASMN1; SMN2NPC1MEN1KMT2A
SCHEMBL10112053 0.72 SMN1; SMN2 (0.59) RAB9ASMN1; SMN2NPC1MEN1KMT2A
SCHEMBL28516248 0.72 RAB9A (0.77) RAB9ASMN1; SMN2NPC1MEN1KMT2A
SCHEMBL3869436 0.72 KDM4E (0.43) RAB9ASMN1; SMN2NPC1MEN1KMT2A
SCHEMBL1821288 0.72 ALDH1A1 (0.83) RAB9ASMN1; SMN2NPC1MEN1KMT2A
SCHEMBL27637107 0.71 SMN1; SMN2 (0.52) RAB9ASMN1; SMN2NPC1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112300157-B Novel pyrazolopyridine compound with anti-tumor activity and preparation method thereof 烟台大学 2021-08-20 CN disclosed
CN-112300157-A Novel pyrazolopyridine compound with anti-tumor activity and preparation method thereof 烟台大学 2021-02-02 CN disclosed
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 RAB9A 2873/4885SMN1; SMN2 4413/4885NPC1 303/4885
US-20090209451-A1 HETEROARYLAMINOPYRAZOLE DERIVATIVES USEFUL FOR THE TREATMENT OF DIABETES GPR119, GOT2, IAPP RAB9A 2873/4885SMN1; SMN2 4413/4885NPC1 303/4885

“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.