SCHEMBL1229696

SCHEMBL1229696

N#Cc1ccc(-c2cc[nH]n2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.43
NOTUM Q6P988 2/20 0.42
MMP3 P08254 1/20 0.42
GABRA1 P14867 1/20 0.40
GABRG2 P18507 1/20 0.40
GABRB3 P28472 1/20 0.40
GABRA5 P31644 1/20 0.40
GABRA3 P34903 1/20 0.40
RIPK1 Q13546 1/20 0.39
CYP11B2 P19099 1/20 0.39
KIF11 P52732 2/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
USP30 Q70CQ3 1/20 0.38
KDM1A O60341 1/20 0.37
MAOB P27338 1/20 0.37
ALDH1A3 P47895 1/20 0.37
F2RL3 Q96RI0 1/20 0.37
HRH4 Q9H3N8 1/20 0.37
HRH3 Q9Y5N1 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
SCHEMBL16766999 0.82 LMNA (0.36) NOTUMNPC1RAB9A
SCHEMBL98912 0.78 IDO1 (0.59) NOTUMGABRA1GABRG2GABRB3GABRA5
SCHEMBL31339117 0.78 IDO1 (0.59) NOTUMGABRA1GABRG2GABRB3GABRA5
SCHEMBL1959481 0.76 GRM5 (0.43) GAARIPK1KDM1AALDH1A1
Water SCHEMBL28192673 0.75 CA12 (0.41) NOTUMNPC1RAB9AALDH1A1CA12
SCHEMBL26129630 0.74 IMPDH2 (0.35) RIPK1
SCHEMBL41606 0.72
SCHEMBL9955 0.72 METAP2 (0.50) GAANPC1RAB9AALDH1A1CYP2A6
SCHEMBL6344688 0.72 MAPT (0.46) RIPK1NPC1RAB9AALDH1A1CA12
SCHEMBL1260621 0.72 LMNA (0.32)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110483400-B Preparation method of pyrazole derivative 上海应用技术大学 2023-04-28 CN disclosed
CN-110483400-A A kind of preparation method of pyrazole derivatives SHANGHAI INST TECH 2019-11-22 CN disclosed
US-9732109-B2 Pesticidal compositions DOW AGROSCIENCES LLC (US) 2017-08-15 US disclosed
US-9732109-B2 Pesticidal compositions DOW AGROSCIENCES LLC (US) 2017-08-15 US disclosed
US-9732109-B2 Pesticidal compositions DOW AGROSCIENCES LLC (US) 2017-08-15 US disclosed
EP-2247603-B1 PESTICIDAL COMPOSITIONS DOW AGROSCIENCES LLC (US) 2016-09-28 EP disclosed
EP-2247603-B1 PESTICIDAL COMPOSITIONS DOW AGROSCIENCES LLC (US) 2016-09-28 EP disclosed
CN-102596910-B Androgen receptor modulating compounds ORION CORP. (FI) 2015-11-25 CN disclosed
CN-105061313-A Androgen receptor modulating compounds ORION CORP 2015-11-18 CN disclosed
US-9179681-B2 Pesticidal compositions DOW AGROSCIENCES LLC (US) 2015-11-10 US disclosed
US-20080269196-A1 6-Arylalkylamino-2,3,4,5-Tetrahydro-1H-Benzo[D]Azepines as 5-Ht2c Receptor Agonists ELI LILLY AND COMPANY 2008-10-30 US disclosed
CN-101258131-A As 5-HT2c6-aralkylamino-2, 3,4, 5-tetrahydro-1H-benzo [ d ] receptors as agonists]Aza * LILLY CO ELI (US) 2008-09-03 CN disclosed
EP-1382603-B1 NITROGENOUS FUSED-RING COMPOUND HAVING PYRAZOLYL GROUP AS SUBSTITUENT AND MEDICINAL COMPOSITION THEREOF EISAI R&D MAN CO LTD (JP) 2008-07-23 EP disclosed
EP-1924561-A2 6-ARYLALKYLAMINO- 2,3,4,5-TETRAHYDRO-1H-BENZO[D]AZEPINES AS 5-HT2C RECEPTOR AGONISTS Eli Lilly & Company (US) 2008-05-28 EP disclosed
WO-2007028083-A2 6-ARYLALKYLAMINO- 2,3,4,5-TETRAHYDRO-1H-BENZO[D]AZEPINES AS 5-HT2C RECEPTOR AGONISTS ELI LILLY AND COMPANY (US) 2007-03-08 WO disclosed
WO-2007028083-A2 6-ARYLALKYLAMINO- 2,3,4,5-TETRAHYDRO-1H-BENZO[D]AZEPINES AS 5-HT2C RECEPTOR AGONISTS ELI LILLY AND COMPANY (US) 2007-03-08 WO disclosed
US-7074801-B1 Nitrogen-containing condensed cyclic compound having a pyrazolyl group as a substituent group and pharmaceutical composition thereof EISAI CO., LTD. (JP) 2006-07-11 US disclosed
CN-1626540-A Iridium compound and organic electroluminescent device using the same SAMSUNG SDI CO LTD (KR) 2005-06-15 CN disclosed
EP-1382603-A1 NITROGENOUS FUSED−RING COMPOUND HAVING PYRAZOLYL GROUP AS SUBSTITUENT AND MEDICINAL COMPOSITION THEREOF Eisai Co., Ltd. (JP) 2004-01-21 EP disclosed
WO-1996001255-A1 3-(CYANOPHENYL)-PYRAZOLE DERIVATIVES AS HERBICIDES ZENECA LIMITED (GB) 1996-01-18 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 (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-20080269196-A1 6-Arylalkylamino-2,3,4,5-Tetrahydro-1H-Benzo[D]Azepines as 5-Ht2c Receptor Agonists HTR2C, HTR1A, HTR2A GAA 4045/4885NOTUM 4297/4885MMP3 4064/4885

“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.