SCHEMBL3118237

SCHEMBL3118237

NCc1ccc(-c2cccnn2)cc1

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 1/20 0.50
ADRB2 P07550 1/20 0.50
HRH3 Q9Y5N1 1/20 0.48
TAAR1 Q96RJ0 4/20 0.47
PRMT5 O14744 1/20 0.47
WDR77 Q9BQA1 1/20 0.47
LOXL2 Q9Y4K0 4/20 0.42
LTA4H P09960 1/20 0.40
HDAC4 P56524 1/20 0.40
DHODH Q02127 1/20 0.40
WNT3A P56704 3/20 0.39
EP300 Q09472 1/20 0.37
ASIC3 Q9UHC3 1/20 0.37

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
SCHEMBL13637169 0.81 RAB9A (0.44) PRMT5WDR77HDAC4DHODHWNT3A
SCHEMBL6852546 0.81 WNT3A (0.42) PRMT5WDR77HDAC4DHODHWNT3A
SCHEMBL6215593 0.81 MKNK1 (0.50) PRMT5WDR77HDAC4DHODHWNT3A
SCHEMBL3118227 0.81 HDAC4 (0.40) PRMT5WDR77HDAC4DHODHWNT3A
SCHEMBL6854741 0.78 EP300 (0.40) PRMT5WDR77HDAC4DHODHWNT3A
SCHEMBL6852849 0.78 HDAC4 (0.41) PRMT5WDR77HDAC4DHODHWNT3A
SCHEMBL8467926 0.78 HDAC4 (0.46) TAAR1PRMT5WDR77HDAC4DHODH
SCHEMBL13625507 0.77 XDH (0.42) HDAC4DHODHWNT3AEP300
SCHEMBL13458062 0.75 GABRA1 (0.52) PRMT5WDR77HDAC4DHODHASIC3
SCHEMBL6880455 0.75 EP300 (0.44) LTA4HHDAC4DHODHWNT3AEP300

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
CN-103002897-B Certain amino-pyridazines, compositions thereof, and methods of use thereof 赛特凯恩蒂克公司 2017-06-09 CN claimed
WO-2025067540-A1 PYRAZOLOTRIAZINE AND PYRAZOLOPYRIMIDINE DERIVATIVES, PREPARATION METHOD THEREFOR, PHARMACEUTICAL COMPOSITION, AND USE THEREOF 中国科学院上海药物研究所 2025-04-03 WO disclosed
US-20100029669-A1 3-(SUBSTITUTED ETHYL)-RIFAMYCIN DERIVATIVES USEFUL AS ANTIMICROBIAL AGENTS JANSSEN PHARMACEUTICA, NV (BE) 2010-02-04 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 (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-20100029669-A1 3-(SUBSTITUTED ETHYL)-RIFAMYCIN DERIVATIVES USEFUL AS ANTIMICROBIAL AGENTS RIF1, RPS27, MRPL21 CYP2A6 1021/4885ADRB2 2992/4885HRH3 4213/4885

“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.