SCHEMBL3018900

SCHEMBL3018900

Cc1nc2ccc(Nc3c(C)c(N)nn4cc([C@H]5CC[C@H](N)CC5)nc34)cc2s1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.40
KDM4E B2RXH2 1/20 0.40
MEN1 O00255 1/20 0.40
ROCK2 O75116 1/20 0.38
HSD17B10 Q99714 2/20 0.37
HPGD P15428 2/20 0.37
ALDH1A1 P00352 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
LDHA P00338 1/20 0.35
SMN1; SMN2 Q16637 4/20 0.35
RAB9A P51151 2/20 0.35
NPC1 O15118 1/20 0.35
CDK2 P24941 1/20 0.35
MAPKAPK2 P49137 1/20 0.35
TSHR P16473 1/20 0.35
P2RX3 P56373 3/20 0.34
LMNA P02545 1/20 0.34
HTT P42858 1/20 0.34
MAPT P10636 1/20 0.34
JAK2 O60674 2/20 0.34

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
SCHEMBL3025919 0.85 KMT2A (0.40) KMT2AKDM4EMEN1ROCK2HSD17B10
SCHEMBL3007600 0.84 MAPT (0.34) KMT2AKDM4EHSD17B10HPGDALDH1A1
SCHEMBL3015022 0.83 NPC1 (0.42) KMT2AMEN1HSD17B10HPGDALDH1A1
SCHEMBL3531352 0.81 SRC (0.39) KMT2AKDM4EMEN1HSD17B10HPGD
SCHEMBL3017833 0.81 SRC (0.39) KMT2AKDM4EMEN1HSD17B10HPGD
SCHEMBL3023068 0.81 SRC (0.39) KMT2AKDM4EMEN1HSD17B10HPGD
SCHEMBL3019404 0.80 SRC (0.36) KMT2AKDM4EMEN1HSD17B10HPGD
SCHEMBL3025260 0.79 NPC1 (0.32) HSD17B10ALDH1A1SMN1; SMN2RAB9ANPC1
SCHEMBL3528068 0.79 NPC1 (0.32) HSD17B10ALDH1A1SMN1; SMN2RAB9ANPC1
SCHEMBL3023966 0.79 EGFR (0.39)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100204212-A1 FUSED HETEROCYCLIC COMPOUNDS USEFUL AS KINASE MODULATORS BRISTOL-MYERS SQUIBB COMPANY 2010-08-12 US disclosed
US-7723336-B2 Fused heterocyclic compounds useful as kinase modulators BRISTOL-MYERS SQUIBB COMPANY (US) 2010-05-25 US disclosed
US-20080045536-A1 FUSED HETEROCYCLIC COMPOUNDS USEFUL AS KINASE MODULATORS BRISTOL-MYERS SQUIBB COMPANY 2008-02-21 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-20100204212-A1 FUSED HETEROCYCLIC COMPOUNDS USEFUL AS KINASE MODULATORS MAP2K2, MAP3K2, MAP4K2 KMT2A 584/4885KDM4E 1137/4885MEN1 1665/4885
US-20080045536-A1 FUSED HETEROCYCLIC COMPOUNDS USEFUL AS KINASE MODULATORS MAP3K3, MAP3K2, MAP4K3 KMT2A 726/4885KDM4E 1158/4885MEN1 1632/4885

“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.