SCHEMBL12144192

SCHEMBL12144192

Cc1ccccc1-c1cc(-c2cnc(NCc3ccco3)s2)cn2ccnc12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EED O75530 3/20 0.43
LIMK1 P53667 1/20 0.39
FYN P06241 5/20 0.38
HDAC6 Q9UBN7 1/20 0.37
MAPT P10636 6/20 0.36
KMT2A Q03164 5/20 0.36
ALDH1A1 P00352 5/20 0.36
MEN1 O00255 4/20 0.36
KDM4E B2RXH2 3/20 0.36
GAA P10253 2/20 0.36
POLB P06746 1/20 0.36
LMNA P02545 3/20 0.36
HSD17B10 Q99714 3/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C19 P33261 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36

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
SCHEMBL12144197 0.85 LIMK1 (0.46) LIMK1FYNHDAC6ALDH1A1CYP1A2
SCHEMBL12144195 0.85 LIMK1 (0.41) LIMK1HDAC6MAPTKMT2AALDH1A1
SCHEMBL12144200 0.83 LIMK1 (0.58) LIMK1HDAC6
SCHEMBL12144198 0.82 KDR (0.40) LIMK1HDAC6MAPTLMNACYP1A2
SCHEMBL12144189 0.81 LIMK1 (0.46) LIMK1HDAC6
SCHEMBL12144191 0.81 LIMK1 (0.46) LIMK1HDAC6ALDH1A1KDM4EHSD17B10
SCHEMBL12144152 0.80 MAPK14 (0.42) LIMK1HDAC6
SCHEMBL12144153 0.80 LIMK1 (0.41) LIMK1HDAC6
SCHEMBL12144176 0.79 MAPK14 (0.46) LIMK1HDAC6
SCHEMBL12144205 0.76 KDR (0.57) MAPTKMT2AALDH1A1MEN1POLB

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
US-8410128-B2 Triazolopyridine compounds useful as kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2013-04-02 US disclosed
US-8410128-B2 Triazolopyridine compounds useful as kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2013-04-02 US disclosed
US-8338604-B2 Imidazopyridine and imidazopyrazine compounds useful as kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2012-12-25 US disclosed
US-8338604-B2 Imidazopyridine and imidazopyrazine compounds useful as kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2012-12-25 US disclosed
US-20110288085-A1 IMIDAZOPYRIDINE AND IMIDAZOPYRAZINE COMPOUNDS USEFUL AS KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2011-11-24 US disclosed
US-20110288085-A1 IMIDAZOPYRIDINE AND IMIDAZOPYRAZINE COMPOUNDS USEFUL AS KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2011-11-24 US disclosed
US-20110077243-A1 Triazolopyridine Compounds Useful As Kinase Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2011-03-31 US disclosed
US-20110077243-A1 Triazolopyridine Compounds Useful As Kinase Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2011-03-31 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-20110077243-A1 Triazolopyridine Compounds Useful As Kinase Inhibitors MAP3K1, MAP3K5, MAP3K8 EED 3931/4885LIMK1 726/4885FYN 417/4885
US-20110288085-A1 IMIDAZOPYRIDINE AND IMIDAZOPYRAZINE COMPOUNDS USEFUL AS KINASE INHIBITORS MAP4K2, MAPKAPK2, MAP3K5 EED 2644/4885LIMK1 858/4885FYN 486/4885

“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.