SCHEMBL3010710

SCHEMBL3010710

Cc1c(N)nn2cc([C@H]3CC[C@H](N)CC3)nc2c1Nc1ccc(C(=O)N2CCCCC2)cc1

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 5/20 0.40
HPGD P15428 5/20 0.39
ALDH1A1 P00352 2/20 0.39
GRM5 P41594 2/20 0.39
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
TSHR P16473 1/20 0.38
MAPK1 P28482 1/20 0.38
HTT P42858 1/20 0.37
RECQL P46063 1/20 0.37
CES2 O00748 1/20 0.36
MAPT P10636 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
BTK Q06187 2/20 0.35
TNKS O95271 1/20 0.35
ATR Q13535 1/20 0.35

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
SCHEMBL3017146 0.92 BTK (0.44) HPGDALDH1A1HTTMAPTBTK
SCHEMBL3015022 0.83 NPC1 (0.42) HPGDALDH1A1MEN1KMT2AMAPT
SCHEMBL3022043 0.82 MEN1 (0.41) ADORA2AHPGDALDH1A1MEN1KMT2A
SCHEMBL3012057 0.81 ADORA2A (0.40) ADORA2AHPGDMEN1KMT2ATSHR
SCHEMBL3023068 0.81 SRC (0.39) HPGDALDH1A1MEN1KMT2AMAPT
SCHEMBL3531352 0.81 SRC (0.39) HPGDALDH1A1MEN1KMT2AMAPT
SCHEMBL3017833 0.81 SRC (0.39) HPGDALDH1A1MEN1KMT2AMAPT
SCHEMBL3019404 0.81 SRC (0.36) ADORA2AHPGDALDH1A1MEN1KMT2A
SCHEMBL3528068 0.80 NPC1 (0.32) ALDH1A1MAPTSMN1; SMN2
SCHEMBL3025260 0.80 NPC1 (0.32) ALDH1A1MAPTSMN1; SMN2

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 ADORA2A 1448/4885HPGD 2387/4885ALDH1A1 3952/4885
US-20080045536-A1 FUSED HETEROCYCLIC COMPOUNDS USEFUL AS KINASE MODULATORS MAP3K3, MAP3K2, MAP4K3 ADORA2A 1518/4885HPGD 3457/4885ALDH1A1 4291/4885

“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.