SCHEMBL22270959

SCHEMBL22270959

Cc1ccnc2cn(C)nc12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 2/20 0.43
CCR1 P32246 3/20 0.39
CCR5 P51681 3/20 0.39
CCR8 P51685 3/20 0.39
NOS3 P29474 2/20 0.33
NOS2 P35228 2/20 0.33
ADORA3 P0DMS8 1/20 0.33
ADORA2A P29274 1/20 0.33
ADORA2B P29275 1/20 0.33
ADORA1 P30542 1/20 0.33
COMT P21964 1/20 0.33
KDM4E B2RXH2 1/20 0.32
NSD2 O96028 1/20 0.32
ALDH1A1 P00352 1/20 0.32
MAPT P10636 1/20 0.32
PSMD14 O00487 1/20 0.32
COPS5 Q92905 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.31
GRM4 Q14833 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30

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
SCHEMBL2596736 0.78 TGFBR1 (0.37) TGFBR1ADORA3ADORA2AADORA2BADORA1
SCHEMBL2596856 0.78 TGFBR1 (0.37) TGFBR1ADORA3ADORA2AADORA2BADORA1
SCHEMBL9961411 0.78 TGFBR1 (0.37) TGFBR1ADORA3ADORA2AADORA2BADORA1
SCHEMBL26719952 0.76 TGFBR1 (0.36) TGFBR1ADORA3ADORA2AADORA2BADORA1
SCHEMBL22387259 0.76 TGFBR1 (0.36) TGFBR1ADORA3ADORA2AADORA2BADORA1
SCHEMBL2596894 0.71 TGFBR1 (0.33) TGFBR1
SCHEMBL26313733 0.69 ALDH1A1 (0.34) TGFBR1ADORA2AADORA2BADORA1COMT
SCHEMBL29303470 0.68 CCR1 (0.43) CCR1CCR5CCR8NOS3NOS2
SCHEMBL21893433 0.68 CYP2A6 (0.39) TGFBR1CCR1CCR5CCR8COMT
SCHEMBL3365276 0.68 NPC1 (0.43)

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-20250353841-A1 HETEROCYCLIC COMPOUNDS FOR TREATING HUNTINGTON'S DISEASE HUFF SARAH ELIZABETH (US) 2025-11-20 US disclosed
WO-2021028362-A1 SHP2 INHIBITORS IRBM S.P.A. (IT) 2021-02-18 WO disclosed
EP-3686196-A1 POLYCYCLIC COMPOUND ACTING AS IDO INHIBITOR AND/OR IDO-HDAC DUAL INHIBITOR Hangzhou Innogate Pharma Co., Ltd. (CN) 2020-07-29 EP 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-20250353841-A1 HETEROCYCLIC COMPOUNDS FOR TREATING HUNTINGTON'S DISEASE HTT, HYPK, ATXN2 TGFBR1 4817/4885CCR1 4844/4885CCR5 4816/4885

“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.