SCHEMBL4465941

SCHEMBL4465941

O=C(O)c1ncc(-c2ccc(F)cc2)cn1

nearest known ligand 0.68

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
BCL2L1 Q07817 1/20 0.55
BAD Q92934 1/20 0.55
MAP4K4 O95819 1/20 0.50
NPC1 O15118 1/20 0.43
RXFP1 Q9HBX9 1/20 0.43
EGLN1 Q9GZT9 1/20 0.43
KDM4E B2RXH2 3/20 0.43
CA12 O43570 1/20 0.42
ALPL P05186 1/20 0.42
RPA1 P27694 1/20 0.42
KMO O15229 3/20 0.41
DHODH Q02127 1/20 0.40
ALDH1A1 P00352 1/20 0.40
GAA P10253 1/20 0.40
KDR P35968 1/20 0.39
TEK Q02763 1/20 0.39
P4HTM Q9NXG6 1/20 0.39
PTPN1 P18031 1/20 0.39
GRIN2B Q13224 2/20 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
SCHEMBL30526873 0.89 NPC1 (0.43) BCL2L1BADMAP4K4NPC1EGLN1
SCHEMBL27961422 0.82 MAP4K4 (0.45) BCL2L1BADMAP4K4NPC1RXFP1
SCHEMBL4467910 0.82 DHODH (0.48) MAP4K4EGLN1KMODHODHKDR
SCHEMBL2225522 0.81 SMN1; SMN2 (0.54) MAP4K4NPC1KDM4EKMO
SCHEMBL4459958 0.79 KMO (0.60) MAP4K4EGLN1KDM4EKMODHODH
SCHEMBL2636731 0.78 P4HTM (0.57) BCL2L1BADMAP4K4EGLN1KDM4E
SCHEMBL29928830 0.78 P4HTM (0.57) BCL2L1BADMAP4K4EGLN1KDM4E
SCHEMBL10328694 0.78 HCAR2 (0.41) BCL2L1BADKDM4EKMOP4HTM
SCHEMBL13394467 0.78 NAPRT (0.46) MAP4K4KDM4E
SCHEMBL25255541 0.77 KMO (0.44) BCL2L1BADMAP4K4NPC1RXFP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7504412-B2 Imidazopyridine derivatives BANYU PHARMACEUTICALS, CO., LTD. (JP) 2009-03-17 US disclosed
US-7485647-B2 2-aminoquinoline derivatives BANYU PHARMACEUTICAL CO., LTD. (JP) 2009-02-03 US disclosed
CN-100448870-C 2-aminoquinoline derivative BANYU PHARMA CO LTD (JP) 2009-01-07 CN disclosed
CN-100418965-C Imidazopyridine derivatives BANYU PHARMA CO LTD (JP) 2008-09-17 CN disclosed
US-20080200494-A1 Imidazopyridine Derivatives MSD K.K. (JP) 2008-08-21 US disclosed
US-20060287340-A1 2-Aminoquinoline derivatives MSD K.K. (JP) 2006-12-21 US disclosed
CN-1835950-A Imidazopyridine derivatives BANYU PHARMA CO LTD (JP) 2006-09-20 CN disclosed
CN-1791594-A 2-aminoquinoline derivatives BANYU PHARMA CO LTD (JP) 2006-06-21 CN disclosed
EP-1657242-A1 IMIDAZOPYRIDINE DERIVATIVES Banyu Pharmaceutical Co., Ltd. (JP) 2006-05-17 EP disclosed
EP-1630162-A1 2-AMINOQUINOLINE DERIVATIVE BANYU PHARMACEUTICAL CO., LTD. (JP) 2006-03-01 EP 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-20080200494-A1 Imidazopyridine Derivatives MC1R, MC3R, MC5R BCL2L1 4455/4885BAD 3238/4885MAP4K4 666/4885
US-20060287340-A1 2-Aminoquinoline derivatives MCHR2, MC2R, MCHR1 BCL2L1 3150/4885BAD 2547/4885MAP4K4 1502/4885

“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.