SCHEMBL2424239

SCHEMBL2424239

COc1cc(Br)cc(CCN)c1

nearest known ligand 0.55

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 6/20 0.55
CYP19A1 P11511 1/20 0.50
HTR2A P28223 3/20 0.48
HTR2C P28335 2/20 0.48
HTR2B P41595 2/20 0.48
MAOB P27338 5/20 0.47
CYP1A2 P05177 1/20 0.43
KDM4E B2RXH2 1/20 0.43
ATM Q13315 1/20 0.43
TSHR P16473 1/20 0.41
MAPK1 P28482 1/20 0.41

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
SCHEMBL153674 0.86 TAAR1 (0.64) TAAR1CYP19A1HTR2AHTR2CHTR2B
SCHEMBL1362261 0.84 MAOB (0.42) TAAR1CYP19A1MAOB
Hydrochloric Acid SCHEMBL11087070 0.84 TAAR1 (0.62) TAAR1CYP19A1HTR2AHTR2CHTR2B
SCHEMBL28996093 0.82 TAAR1 (0.56) TAAR1CYP19A1HTR2AHTR2CHTR2B
SCHEMBL28996092 0.82 TAAR1 (0.56) TAAR1CYP19A1HTR2AHTR2CHTR2B
SCHEMBL13616448 0.82 PTGS2 (0.47) TAAR1CYP19A1MAOB
SCHEMBL5705697 0.79 TAAR1 (0.60) TAAR1HTR2AHTR2CHTR2BCYP1A2
SCHEMBL31347520 0.78 CYP19A1 (0.61) TAAR1CYP19A1HTR2AHTR2CHTR2B
SCHEMBL15502971 0.78 TAAR1 (0.56) TAAR1CYP19A1HTR2AHTR2CHTR2B
SCHEMBL29774677 0.78 ALDH1A1 (0.42) CYP19A1MAOBTSHRMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4651955-A1 INHIBITOR COMPOUNDS Neophore Limited (GB) 2025-11-26 EP disclosed
WO-2024153947-A1 INHIBITOR COMPOUNDS Neophore Limited (GB) 2024-07-25 WO disclosed
CN-117659050-A Quinazoline heterocyclic derivatives as KRAS mutation inhibitors for the treatment of cancer 深圳福沃药业有限公司 2024-03-08 CN disclosed
EP-4219504-A1 MACROCYCLIC TLR7 AGONIST, PREPARATION METHOD THEREFOR, PHARMACEUTICAL COMPOSITION AND USE THEREOF Shanghai Visonpharma Co., Ltd. (CN) 2023-08-02 EP disclosed
EP-3172202-B1 HETEROCYCLIC CARBOXYLIC ACIDS AS ACTIVATORS OF SOLUBLE GUANYLATE CYCLASE BOEHRINGER INGELHEIM INT (DE) 2020-01-29 EP disclosed
EP-2892891-B1 ALKOXY PYRAZOLES AS SOLUBLE GUANYLATE CYCLASE ACTIVATORS BOEHRINGER INGELHEIM INT (DE) 2019-07-31 EP disclosed
US-9353090-B2 Heterocyclic carboxylic acids as activators of soluble guanylate cyclase BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2016-05-31 US disclosed
US-9353090-B2 Heterocyclic carboxylic acids as activators of soluble guanylate cyclase BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2016-05-31 US disclosed
US-20160024059-A1 HETEROCYCLIC CARBOXYLIC ACIDS AS ACTIVATORS OF SOLUBLE GUANYLATE CYCLASE BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2016-01-28 US disclosed
US-20160024059-A1 HETEROCYCLIC CARBOXYLIC ACIDS AS ACTIVATORS OF SOLUBLE GUANYLATE CYCLASE BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2016-01-28 US disclosed
WO-2016014463-A1 HETEROCYCLIC CARBOXYLIC ACIDS AS ACTIVATORS OF SOLUBLE GUANYLATE CYCLASE BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2016-01-28 WO disclosed
US-8906904-B2 Alkoxy pyrazoles as soluble guanylate cyclase activators BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-12-09 US disclosed
US-20140073629-A1 ALKOXY PYRAZOLES AS SOLUBLE GUANYLATE CYCLASE ACTIVATORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-03-13 US disclosed
WO-2014039434-A1 ALKOXY PYRAZOLES AS SOLUBLE GUANYLATE CYCLASE ACTIVATORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-03-13 WO disclosed
EP-2366699-B1 8-SUBSTITUTED ISOQUINOLINE DERIVATIVE AND USE THEREOF ASAHI KASEI PHARMA CORP (JP) 2013-08-07 EP disclosed
US-8299055-B2 8-substituted isoquinoline derivative and the use thereof ASAHI KASEI PHARMA CORPORATION (JP) 2012-10-30 US disclosed
EP-2366699-A1 8-SUBSTITUTED ISOQUINOLINE DERIVATIVE AND USE THEREOF Asahi Kasei Pharma Corporation (JP) 2011-09-21 EP disclosed
US-20100261701-A1 8-Substituted isoquinoline derivative and the use thereof ASAHI KASEI PHARMA CORPORATION (JP) 2010-10-14 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 (3 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-20160024059-A1 HETEROCYCLIC CARBOXYLIC ACIDS AS ACTIVATORS OF SOLUBLE GUANYLATE CYCLASE ADCY9, ADCY7, GUCY1B1 TAAR1 1105/4885CYP19A1 1230/4885HTR2A 1158/4885
US-20140073629-A1 ALKOXY PYRAZOLES AS SOLUBLE GUANYLATE CYCLASE ACTIVATORS GUCY1B1, GUCY1A2, GUCY1A1 TAAR1 1012/4885CYP19A1 765/4885HTR2A 1363/4885
US-20100261701-A1 8-Substituted isoquinoline derivative and the use thereof RELA, NFKBIA, NFKB2 TAAR1 2322/4885CYP19A1 1392/4885HTR2A 3659/4885

“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.