SCHEMBL3364506

SCHEMBL3364506

Brc1cccc2c[nH]nc12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ BACE1 P56817 2/20 0.44
▸ NOS1 P29475 2/20 0.39
▸ AR P10275 1/20 0.36
▸ LMNA P02545 2/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ CA12 O43570 1/20 0.34
▸ CA9 Q16790 1/20 0.34
▸ NPC1 O15118 1/20 0.34
▸ RAB9A P51151 1/20 0.34
▸ PDPK1 O15530 1/20 0.33
▸ KDM4E B2RXH2 2/20 0.33
▸ CYP1A2 P05177 1/20 0.33
▸ CYP3A4 P08684 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ CYP2C9 P11712 1/20 0.33
▸ MAPK1 P28482 1/20 0.33
▸ CYP2C19 P33261 1/20 0.33
▸ ENPP3 O14638 1/20 0.32
▸ ENPP1 P22413 1/20 0.32
▸ NQO2 P16083 2/20 0.32

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
SCHEMBL27242624 0.74 SMN1; SMN2 (0.37) ARLMNASMN1; SMN2CA12CA9
SCHEMBL19152469 0.74 NOS1 (0.39) NOS1ARLMNACA12CA9
SCHEMBL13454727 0.74 PDE3B (0.42) ARKDM4ECYP1A2MEN1GAA
SCHEMBL13724990 0.74 CYP3A4 (0.38) LMNASMN1; SMN2NPC1RAB9AKDM4E
SCHEMBL15650551 0.71 ENPP3 (0.41) BACE1ARSMN1; SMN2PDPK1MAPT
SCHEMBL22559200 0.71 CYP1A2 (0.39) LMNACYP1A2CYP3A4CYP2C9
SCHEMBL24873580 0.71 HTR2A (0.31) —
SCHEMBL18003573 0.71 KEAP1 (0.52) LMNASMN1; SMN2CA12CA9NPC1
SCHEMBL5201632 0.70 ALDH1A1 (0.46) SMN1; SMN2NPC1RAB9AKDM4ECYP1A2
SCHEMBL21672119 0.69 CA2 (0.39) CYP3A4MAPTCYP2C9CYP2C19

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 27 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114907387-A Pyrimidopyrrole KRAS inhibitor and preparation method and application thereof 中山大学 2022-08-16 — — CN claimed
US-20250221979-A1 NOVEL HETEROCYCLIC COMPOUND SHOUYAO HOLDINGS BEIJING CO LTD (CN) 2025-07-10 — — US disclosed
US-20250115606-A1 HETEROCYCLIC GLP-1 AGONISTS GASHERBRUM BIO, INC. 2025-04-10 — — US disclosed
US-12221442-B2 Heterocyclic GLP-1 agonists GASHERBRUM BIO, INC. (US) 2025-02-11 — — US disclosed
EP-4501912-A1 NOVEL HETEROCYCLIC COMPOUND Shouyao Holdings (Beijing) Co., Ltd. (CN) 2025-02-05 — — EP disclosed
CN-118475560-A Novel heterocyclic compound 首药控股(北京)股份有限公司 2024-08-09 — — CN disclosed
US-20240246962-A1 HETEROCYCLIC GLP-1 AGONISTS GASHERBRUM BIO, INC. 2024-07-25 — — US disclosed
US-11926626-B2 Heterocyclic GLP-1 agonists GASHERBRUM BIO, INC. (US) 2024-03-12 — — US disclosed
CN-114907387-B Pyrimido pyrrole KRAS inhibitor and preparation method and application thereof 中山大学 2023-11-10 — — CN disclosed
WO-2023185811-A1 NOVEL HETEROCYCLIC COMPOUND 首药控股(北京)股份有限公司 2023-10-05 — — WO disclosed
EP-1656353-B1 GABANERGIC MODULATORS HOFFMANN LA ROCHE (CH) 2010-01-27 — — EP disclosed
CN-100584830-C Gabanergic modulators HOFFMANN LA ROCHE LLC 2010-01-27 — — CN disclosed
US-7365211-B2 Heterocyclic GABAA subtype selective receptor modulators ROCHE PALO ALTO LLC (US) 2008-04-29 — — US disclosed
US-7365211-B2 Heterocyclic GABAA subtype selective receptor modulators ROCHE PALO ALTO LLC (US) 2008-04-29 — — US disclosed
US-7365211-B2 Heterocyclic GABAA subtype selective receptor modulators ROCHE PALO ALTO LLC (US) 2008-04-29 — — US disclosed
CN-1852897-A Gamma-aminobutyric acid modulators ROCHE PALO ALTO LLC (CH) 2006-10-25 — — CN disclosed
EP-1656353-A1 GABANERGIC MODULATORS F. HOFFMANN-LA ROCHE AG (CH) 2006-05-17 — — EP disclosed
US-20050101614-A1 For example, 7-(2,4-Dichloro-phenyl)-2-methyl-2H-pyrazolo[4,3-b]pyridine; for treatment of depression, an anxiety disorder, a psychiatric disorder, a learning or cognitive disorder, a sleep disorder, a convulsive or seizure disorder, or pain ROCHE PALO ALTO LLC 2005-05-12 — — US disclosed
WO-2005016892-A1 GABANERGIC MODULATORS F. HOFFMANN-LA ROCHE AG (CH) 2005-02-24 — — WO disclosed
WO-2005016892-A1 GABANERGIC MODULATORS F. HOFFMANN-LA ROCHE AG (CH) 2005-02-24 — — 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 (6 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-20240246962-A1 HETEROCYCLIC GLP-1 AGONISTS GLP1R, GIPR, GCGR BACE1 1029/4885NOS1 3183/4885AR 657/4885
US-12221442-B2 Heterocyclic GLP-1 agonists GLP1R, GIPR, GCGR BACE1 1029/4885NOS1 3183/4885AR 657/4885
US-20250115606-A1 HETEROCYCLIC GLP-1 AGONISTS GLP1R, GIPR, GCGR BACE1 1029/4885NOS1 3183/4885AR 657/4885
US-20050101614-A1 For example, 7-(2,4-Dichloro-phenyl)-2-methyl-2H-pyrazolo[4,3-b]pyridine; for treatment of depression, an anxiety disorder, a psychiatric disorder, a learning or cognitive disorder, a sleep disorder, a convulsive or seizure disorder, or pain HTR2C, GABRA2, GABRA4 BACE1 576/4885NOS1 3717/4885AR 4160/4885
US-20250221979-A1 NOVEL HETEROCYCLIC COMPOUND MAPT, MNAT1, MAT2A BACE1 1312/4885NOS1 3675/4885AR 1962/4885
US-11926626-B2 Heterocyclic GLP-1 agonists GLP1R, GIPR, GCGR BACE1 1029/4885NOS1 3183/4885AR 657/4885

“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.

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