SCHEMBL9605554

SCHEMBL9605554

COc1cccc(NC(=O)c2cccc3c2CCN(Cc2ccncc2)C3)c1

nearest known ligand 0.64

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDR P35968 8/20 0.55
SMN1; SMN2 Q16637 4/20 0.51
LMNA P02545 3/20 0.51
TP53 P04637 2/20 0.51
RAB9A P51151 2/20 0.51
NPC1 O15118 1/20 0.51
TNF P01375 1/20 0.50
NOD2 Q9HC29 1/20 0.50
NOD1 Q9Y239 1/20 0.50
P2RY1 P47900 1/20 0.49
MAPT P10636 2/20 0.49
KDM4E B2RXH2 1/20 0.49
TSHR P16473 1/20 0.49
HSD17B10 Q99714 1/20 0.49
CARM1 Q86X55 1/20 0.49
GAA P10253 1/20 0.48
HTT P42858 1/20 0.48
NAMPT P43490 1/20 0.48

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
SCHEMBL9605522 0.94 KDR (0.55) KDRTNFNOD2NOD1P2RY1
SCHEMBL9605558 0.88 KDR (0.53) KDRSMN1; SMN2LMNARAB9ANOD1
SCHEMBL14147238 0.87 KDR (0.53) KDRSMN1; SMN2LMNATP53TNF
SCHEMBL14122641 0.86 CARM1 (0.60) KDRSMN1; SMN2LMNARAB9ATNF
SCHEMBL9605539 0.83 KDR (0.74) KDRCARM1
SCHEMBL4982048 0.83 KDR (0.61) KDRSMN1; SMN2LMNARAB9ATNF
SCHEMBL9605547 0.81 KDR (0.70) KDRSMN1; SMN2LMNARAB9ATNF
SCHEMBL4443192 0.81 P2RY1 (0.50) KDRP2RY1KDM4E
SCHEMBL14134955 0.81 NOD1 (0.53) KDRSMN1; SMN2LMNARAB9ANPC1
SCHEMBL9605898 0.77 PTPN1 (0.49) SMN1; SMN2LMNAP2RY1MAPTKDM4E

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-8338455-B2 Pyridines or pyrimidines having 4-(hydrogenated 1-pyridyl- or hydrogenated 1-isoquinolyl rings, e.g., N-(4-chlorophenyl)-2-(pyridin-4-ylmethyl)-1,2,3,4-tetrahydroisoquinoline-5-carboxamide; kinase inhibitors; inflammation, angiogenesis and cancer AMGEN INC. (US) 2012-12-25 US disclosed
US-8338455-B2 Pyridines or pyrimidines having 4-(hydrogenated 1-pyridyl- or hydrogenated 1-isoquinolyl rings, e.g., N-(4-chlorophenyl)-2-(pyridin-4-ylmethyl)-1,2,3,4-tetrahydroisoquinoline-5-carboxamide; kinase inhibitors; inflammation, angiogenesis and cancer AMGEN INC. (US) 2012-12-25 US disclosed
EP-2118088-B1 Heterocyclic compounds and their use in treating inflammation, angiogenesis and cancer AMGEN INC (US) 2012-05-30 EP disclosed
US-20080161346-A1 Compounds and methods of use AMGEN INC. (US) 2008-07-03 US disclosed
US-20080161346-A1 Compounds and methods of use AMGEN INC. (US) 2008-07-03 US disclosed
WO-2008079292-A1 HETEROCYCLIC COMPOUNDS AND THEIR USE IN TREATING INFLAMMATION, ANGIOGENESIS AND CANCER AMGEN INC. (US) 2008-07-03 WO 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-20080161346-A1 Compounds and methods of use VHL, VEGFA, FLT1 KDR 6/4885SMN1; SMN2 1707/4885LMNA 2154/4885

“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.