SCHEMBL9685664

SCHEMBL9685664

CC(=O)Oc1cccc(CN2CCCC2)c1

nearest known ligand 0.60

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HRH2 P25021 1/20 0.57
HRH3 Q9Y5N1 1/20 0.57
CYP2D6 P10635 1/20 0.55
CYP2C9 P11712 1/20 0.55
HIF1A Q16665 1/20 0.55
SIGMAR1 Q99720 1/20 0.52
MEN1 O00255 1/20 0.52
KMT2A Q03164 1/20 0.52
ATM Q13315 1/20 0.52
PRMT6 Q96LA8 1/20 0.50
KDM4E B2RXH2 1/20 0.50
ALDH1A1 P00352 1/20 0.50

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
SCHEMBL9772076 0.99 HRH2 (0.58) HRH2HRH3CYP2D6CYP2C9HIF1A
SCHEMBL9133749 0.86 HRH3 (0.53) HRH2HRH3CYP2D6CYP2C9HIF1A
SCHEMBL8916883 0.84 HRH2 (0.48) HRH2HRH3CYP2D6CYP2C9HIF1A
SCHEMBL21765955 0.81 KMT2A (0.50) HRH2HRH3CYP2D6CYP2C9HIF1A
SCHEMBL13004090 0.81 ALDH1A1 (0.60) CYP2D6CYP2C9HIF1ASIGMAR1PRMT6
SCHEMBL3162705 0.80 SIGMAR1 (0.79) HRH3SIGMAR1MEN1KMT2AKDM4E
SCHEMBL1883482 0.78 SIGMAR1 (0.77) HRH3SIGMAR1MEN1KMT2AKDM4E
SCHEMBL29447356 0.78 SIGMAR1 (0.77) HRH3SIGMAR1MEN1KMT2AKDM4E
SCHEMBL13293358 0.77 ITGB3 (0.61) HRH2HRH3CYP2D6CYP2C9HIF1A
Hydrochloric Acid SCHEMBL16825187 0.77 SIGMAR1 (0.74) HRH3SIGMAR1MEN1KMT2AKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3840832-B1 IMIDAZO[1,2-B]PYRIDAZINES AS TRK INHIBITORS BENEVOLENTAI BIO LTD (GB) 2023-10-11 EP disclosed
US-20230149398-A1 TOPICAL PHARMACEUTICAL COMPOSITIONS COMPRISING IMIDAZO[1,2-B]PYRIDAZINE COMPOUNDS BENEVOLENTAI BIO LIMITED (GB) 2023-05-18 US disclosed
US-20210253572-A1 IMIDAZO[1,2-B]PYRIDAZINES AS TRK INHIBITORS BenevolentAl Bio Limited (GB) 2021-08-19 US disclosed
WO-2021148805-A1 TOPICAL PHARMACEUTICAL COMPOSITIONS COMPRISING IMIDAZO[1,2-B]PYRIDAZINE COMPOUNDS BENEVOLENTAI BIO LIMITED (GB) 2021-07-29 WO disclosed
WO-2020039209-A1 IMIDAZO[1,2-B]PYRIDAZINES AS TRK INHIBITORS BENEVOLENTAI BIO LIMITED (GB) 2020-02-27 WO disclosed
EP-0288519-A4 1-TERTIARY-ALKYL-SUBSTITUTED NAPHTHYRIDINE- AND QUINOLINE-CARBOXYLIC ACID ANTIBACTERIAL AGENTS 1992-04-15 EP disclosed
US-4965273-A Certain 1-tertiary-butyl-naphthyridone carboxylic acid derivatives anti-bacterial agents BRISTOL-MYERS COMPANY (US) 1990-10-23 US disclosed
US-4954507-A 1-tertiary-alkyl-substituted naphthyridine carboxylic acid antibacterial agents BRISTOL-MYERS COMPANY (US) 1990-09-04 US disclosed
EP-0288519-A1 1-TERTIARY-ALKYL-SUBSTITUTED NAPHTHYRIDINE- AND QUINOLINE-CARBOXYLIC ACID ANTIBACTERIAL AGENTS Bristol-Myers Squibb Company (US) 1988-11-02 EP disclosed
EP-0266576-A2 1-Tert-alkyl-substituted naphthyridine and quinoline carboxylic acids as antibacterial agents Bristol-Myers Squibb Company (US) 1988-05-11 EP disclosed
WO-1988002627-A1 1-TERTIARY-ALKYL-SUBSTITUTED NAPHTHYRIDINE- AND QUINOLINE-CARBOXYLIC ACID ANTIBACTERIAL AGENTS BRISTOL-MYERS COMPANY (US) 1988-04-21 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 (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-20230149398-A1 TOPICAL PHARMACEUTICAL COMPOSITIONS COMPRISING IMIDAZO[1,2-B]PYRIDAZINE COMPOUNDS TNK2, TNIK, TNK1 HRH2 1289/4885HRH3 2328/4885CYP2D6 1246/4885
US-20210253572-A1 IMIDAZO[1,2-B]PYRIDAZINES AS TRK INHIBITORS MUSK, TPM3, CSNK1A1 HRH2 1746/4885HRH3 2020/4885CYP2D6 2064/4885

“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.