SCHEMBL976828

SCHEMBL976828

[c]1nc2ccccc2cc1-c1n[nH]c2ccccc12

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ITK Q08881 8/20 0.50
FGFR1 P11362 2/20 0.50
FLT1 P17948 2/20 0.50
IDO1 P14902 3/20 0.47
TTK P33981 2/20 0.47
KDM4E B2RXH2 2/20 0.47
ALDH1A1 P00352 2/20 0.47
ALPL P05186 1/20 0.47
GAA P10253 1/20 0.47
HPGD P15428 1/20 0.47
MAPK10 P53779 1/20 0.47
AURKA O14965 2/20 0.43
LRRK2 Q5S007 2/20 0.42
PDPK1 O15530 2/20 0.40
PLK4 O00444 1/20 0.40
CHEK1 O14757 1/20 0.40
CHUK O15111 1/20 0.40
JAK2 O60674 1/20 0.40
ROCK2 O75116 1/20 0.40
MAP4K4 O95819 1/20 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
SCHEMBL4875674 0.75 MAPT (0.39) KDM4EALDH1A1HPGDMAPK1CYP2D6
SCHEMBL17179205 0.73 PIM1 (0.60) ITKFGFR1FLT1IDO1TTK
SCHEMBL3933846 0.73 KDM4E (0.41) KDM4EALDH1A1HPGDMAPK1CYP1A2
SCHEMBL10640426 0.72 KDM4E (0.38) KDM4EALDH1A1GAAHPGDKDR
SCHEMBL7619575 0.72 ITK (0.51) ITKFGFR1FLT1IDO1TTK
SCHEMBL2991589 0.71 NPC1 (0.56) FGFR1KDM4EALDH1A1GAAHPGD
SCHEMBL543150 0.71 RAB9A (0.47) ITKFGFR1KDM4EALDH1A1GAA
SCHEMBL1672674 0.71 IDO1 (0.78) ITKFGFR1FLT1IDO1TTK
SCHEMBL4796146 0.71 KDM4E (0.66) ITKFGFR1FLT1IDO1TTK
SCHEMBL5516956 0.71 ESR1 (0.44) IDO1KDM4EALDH1A1HPGDLCK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2014086032-A1 SUBSTITUTED PYRIDOPYRAZINES AS SYK INHIBITORS HUTCHISON MEDIPHARMA LIMITED (CN) 2014-06-12 WO claimed
US-8440830-B2 Tetrahydro-fused pyridines as histone deacetylase inhibitors 4SC AG (DE) 2013-05-14 US claimed
EP-2197552-B1 NOVEL TETRAHYDROFUSEDPYRIDINES AS HISTONE DEACETYLASE INHIBITORS 4SC AG (DE) 2012-11-21 EP claimed
US-20110021494-A1 NOVEL TETRAHYDRO-FUSED PYRIDINES AS HISTONE DEACETYLASE INHIBITORS 4SC AG (DE) 2011-01-27 US claimed
US-5225414-A SUBSTITUTED AZOLES, A PROCESS FOR THEIR PREPARATION, AND THEIR USE HOECHST AKTIENGESELLSCHAFT (DE) 1993-07-06 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 (1 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-20110021494-A1 NOVEL TETRAHYDRO-FUSED PYRIDINES AS HISTONE DEACETYLASE INHIBITORS HDAC1, HDAC11, HDAC3 ITK 4047/4885FGFR1 1431/4885FLT1 4382/4885

“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.