SCHEMBL6235232

SCHEMBL6235232

N#Cc1ccc2ccccc2c1Br

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 3/20 0.50
CA2 P00918 3/20 0.50
POLB P06746 1/20 0.50
ALDH1A1 P00352 3/20 0.44
HSD17B10 Q99714 2/20 0.44
CYP2A6 P11509 1/20 0.44
TSHR P16473 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
KDM4E B2RXH2 1/20 0.44
HPRT1 P00492 1/20 0.41
IMPDH2 P12268 2/20 0.40
IMPDH1 P20839 2/20 0.40
HIF1A Q16665 1/20 0.38
CYP1B1 Q16678 1/20 0.38
DYRK1A Q13627 2/20 0.38
ANPEP P15144 1/20 0.38
CLK1 P49759 1/20 0.38
MCL1 Q07820 1/20 0.37
AR P10275 1/20 0.37
SLC22A12 Q96S37 2/20 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
SCHEMBL8183400 0.79 POLB (0.50) CA1CA2POLBALDH1A1HSD17B10
SCHEMBL18245343 0.79 POLB (0.50) CA1CA2POLBALDH1A1HSD17B10
SCHEMBL13948301 0.78 CA1 (0.53) CA1CA2ALDH1A1HSD17B10CYP2A6
SCHEMBL646163 0.77 CA1 (0.52) CA1CA2ALDH1A1HSD17B10CYP2A6
SCHEMBL15745354 0.76 CHAT (0.47) CA1CA2POLBALDH1A1HSD17B10
SCHEMBL16581281 0.75 CA1 (0.50) CA1CA2ALDH1A1HSD17B10CYP2A6
SCHEMBL1644856 0.75 CA1 (0.55) CA1CA2ALDH1A1HSD17B10CYP2A6
SCHEMBL1644197 0.75 CA1 (0.50) CA1CA2ALDH1A1HSD17B10CYP2A6
SCHEMBL11556490 0.75 CYP2A6 (0.54) CA1CA2ALDH1A1HSD17B10CYP2A6
SCHEMBL5950664 0.75 TSHR (0.54) CA1CA2ALDH1A1HSD17B10CYP2A6

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
US-11446298-B2 Pyrimidine derivatives IDORSIA PHARMACEUTICALS LTD (CH) 2022-09-20 US disclosed
EP-3625223-B1 PYRIMIDINE DERIVATIVES IDORSIA PHARMACEUTICALS LTD (CH) 2021-08-11 EP disclosed
US-20200108068-A1 PYRIMIDINE DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2020-04-09 US disclosed
EP-3625223-A1 PYRIMIDINE DERIVATIVES Idorsia Pharmaceuticals Ltd (CH) 2020-03-25 EP disclosed
CN-110621667-A Pyrimidine derivatives 爱杜西亚药品有限公司 2019-12-27 CN disclosed
WO-2018210992-A1 PYRIMIDINE DERIVATIVES IDORSIA PHARMACEUTICALS LTD (CH) 2018-11-22 WO disclosed
CN-105392778-B polycyclic compound and organic light emitting device using the same 喜星素材株式会社 2018-05-25 CN disclosed
CN-104892502-B It is used as the aryl-pyridine of aldosterone synthase inhibitors 诺华股份有限公司 2017-08-04 CN disclosed
CN-106478500-A Carboxylic acid-substituted(Miscellaneous)Aromatic ring analog derivative and its production and use 广东东阳光药业有限公司 2017-03-08 CN disclosed
CN-103180312-B Be used for the treatment of or prevent the heterogeneous ring compound of the disorder that the reduction because of the nerve conduction of thrombotonin, norepinephrine or Dopamine HCL causes OTSUKA PHARMACEUTICAL CO.,LTD. (JP) 2016-01-20 CN disclosed
CN-104892502-A Aryl pyridine as aldosterone synthase inhibitors NOVARTIS AG 2015-09-09 CN disclosed
CN-102803217-B Aryl pyridines as aldosterone synthase inhibitors NOVARTIS AG 2015-06-17 CN disclosed
CN-102317296-B Fused aromatic PTP-1B inhibitors KANEQ PHARMA INC 2015-05-27 CN disclosed
CN-103180312-A Heterocyclic compounds for treating or preventing disorders caused by reduced neurotransmission of serotonin, norephnephrine or dopamine OTSUKA PHARMA CO LTD 2013-06-26 CN disclosed
US-20050182269-A1 Process for the preparation of 3-cyano-1-naphthoic acid and some analogues thereof ASTRAZENECA AB (SE) 2005-08-18 US disclosed
EP-1517884-A1 A PROCESS FOR THE PREPARATION OF 3-CYANO-1-NAPHTHOIC ACID AND SOME ANALOGUES THEREOF AstraZeneca AB (SE) 2005-03-30 EP disclosed
WO-2004000792-A1 A PROCESS FOR THE PREPARATION OF 3-CYANO-1-NAPHTHOIC ACID AND SOME ANALOGUES THEREOF ASTRAZENECA AB (SE) 2003-12-31 WO disclosed
CN-1265645-A Urokinase inhibitors ABBOTT LAB (US) 2000-09-06 CN 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-20050182269-A1 Process for the preparation of 3-cyano-1-naphthoic acid and some analogues thereof CYP8B1, CYP51A1, NISCH CA1 777/4885CA2 606/4885POLB 350/4885
US-11446298-B2 Pyrimidine derivatives PTGER1, PTGER4, PTGER2 CA1 4739/4885CA2 4017/4885POLB 1046/4885
US-20200108068-A1 PYRIMIDINE DERIVATIVES PTGER1, PTGER4, PTGER2 CA1 4739/4885CA2 4017/4885POLB 1046/4885

“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.