SCHEMBL2550855

SCHEMBL2550855

Cc1ccc(Br)cc1CN

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 1/20 0.44
TAAR1 Q96RJ0 4/20 0.42
CCR5 P51681 1/20 0.41
PYCR1 P32322 1/20 0.36
ALDH1A1 P00352 3/20 0.35
MAPK1 P28482 1/20 0.34
HTR2A P28223 2/20 0.34
TRPM8 Q7Z2W7 1/20 0.34
MAPT P10636 2/20 0.33
FFAR4 Q5NUL3 1/20 0.33
TP53 P04637 1/20 0.33
POLB P06746 1/20 0.33
KDM4E B2RXH2 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32

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
SCHEMBL31142940 1.00 CYP2A6 (0.44) CYP2A6TAAR1CCR5PYCR1ALDH1A1
SCHEMBL6911967 0.83 TAAR1 (0.64) TAAR1ALDH1A1MAPK1HTR2ATRPM8
SCHEMBL607749 0.82 PYCR1 (0.47) CYP2A6TAAR1CCR5PYCR1ALDH1A1
Hydrochloric Acid SCHEMBL18524130 0.81 TAAR1 (0.62) TAAR1MAPK1HTR2ATRPM8MAPT
Hydrochloric Acid SCHEMBL607790 0.80 PYCR1 (0.46) CYP2A6TAAR1CCR5PYCR1ALDH1A1
SCHEMBL8365116 0.79 SMN1; SMN2 (0.41) PYCR1ALDH1A1MAPK1MAPTFFAR4
SCHEMBL2867783 0.79 CA1 (0.38) TAAR1PYCR1ALDH1A1MAPK1MAPT
SCHEMBL3390800 0.78 CYP2A6 (0.48) CYP2A6TAAR1CCR5ALDH1A1MAPK1
SCHEMBL8155367 0.78 ALDH1A1 (0.44) CYP2A6CCR5PYCR1ALDH1A1HTR2A
SCHEMBL8155381 0.78 ALDH1A1 (0.44) CYP2A6CCR5PYCR1ALDH1A1HTR2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12617789-B2 Small molecular inhibitors of NF-κb inducing kinase JANSSEN PHARMACEUTICA NV (BE) 2026-05-05 US disclosed
EP-4467199-A2 SMALL MOLECULE INHIBITORS OF NF-KB INDUCING KINASE JANSSEN Pharmaceutica NV (BE) 2024-11-27 EP disclosed
EP-3976597-B1 SMALL MOLECULE INHIBITORS OF NF-KB INDUCING KINASE JANSSEN PHARMACEUTICA NV (BE) 2024-08-28 EP disclosed
US-20240199605-A1 SMALL MOLECULAR INHIBITORS OF NF-kB INDUCING KINASE JANSSEN PHARMACEUTICA NV (BE) 2024-06-20 US disclosed
US-11827634-B2 Small molecule inhibitors of NF-kB inducing kinase JANSSEN PHARMACEUTICA NV (BE) 2023-11-28 US disclosed
US-20230080834-A1 SMALL MOLECULE INHIBITORS OF NF-kB INDUCING KINASE JANSSEN PHARMACEUTICA NV (BE) 2023-03-16 US disclosed
WO-2023002011-A1 GRAM-NEGATIVE BACTERIA EFFLUX PUMP INHIBITORS INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE (INSERM) (FR) 2023-01-26 WO disclosed
EP-3976597-A1 SMALL MOLECULE INHIBITORS OF NF-KB INDUCING KINASE Janssen Pharmaceutica NV (BE) 2022-04-06 EP disclosed
US-11254673-B2 Small molecule inhibitors of NF-κB inducing kinase JANSSEN PHARMACEUTICA NV (BE) 2022-02-22 US disclosed
US-20210300918-A1 SMALL MOLECULE INHIBITORS OF NF-kB INDUCING KINASE JANSSEN PHARMACEUTICA NV (BE) 2021-09-30 US disclosed
WO-2017105999-A1 N-[[5-[[[1-(PHENYL)ETHYLIDENE]AMINO]OXY]PHENYL]-METHYL]CARBAMATE DERIVATIVES AND RELATED COMPOUNDS AS FUNGICIDES FOR CONTROLLING PLANT DISEASES E I DU PONT DE NEMOURS AND COMPANY (US) 2017-06-22 WO disclosed
EP-2552893-B1 ANTIBACTERIAL ISOQUINOLIN-3-YLUREA DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2014-10-29 EP disclosed
US-20130096119-A1 Isoquinolin-3-Ylurea Derivatives BUR DANIEL (CH) 2013-04-18 US disclosed
EP-2552893-A1 ANTIBACTERIAL ISOQUINOLIN-3-YLUREA DERIVATIVES Actelion Pharmaceuticals Ltd. (CH) 2013-02-06 EP disclosed
CN-102844305-A Antibacterial isoquinolin-3-ylurea derivatives ACTELION PHARMACEUTICALS LTD 2012-12-26 CN disclosed
WO-2011121555-A1 ANTIBACTERIAL ISOQUINOLIN-3-YLUREA DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2011-10-06 WO disclosed
US-6960640-B2 Composition for optical material MITSUBISHI GAS CHEMICAL CO., LTD. (JP) 2005-11-01 US disclosed
US-20040147708-A1 Composition for optical material MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2004-07-29 US disclosed
US-20040116399-A1 Inhibitors of factor Xa MILLENNIUM PHARMACEUTICALS, INC. 2004-06-17 US disclosed
EP-1426392-A1 COMPOSITION FOR OPTICAL MATERIAL MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2004-06-09 EP 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 (7 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-20210300918-A1 SMALL MOLECULE INHIBITORS OF NF-kB INDUCING KINASE NFKBIA, IKBKB, NFRKB CYP2A6 4245/4885TAAR1 4840/4885CCR5 1516/4885
US-20230080834-A1 SMALL MOLECULE INHIBITORS OF NF-kB INDUCING KINASE NFKBIA, IKBKB, NFRKB CYP2A6 4245/4885TAAR1 4840/4885CCR5 1516/4885
US-11827634-B2 Small molecule inhibitors of NF-kB inducing kinase NFKBIA, IKBKB, NFRKB CYP2A6 4245/4885TAAR1 4840/4885CCR5 1516/4885
US-11254673-B2 Small molecule inhibitors of NF-κB inducing kinase NFKBIA, IKBKB, CHUK CYP2A6 4215/4885TAAR1 4839/4885CCR5 1221/4885
US-12617789-B2 Small molecular inhibitors of NF-κb inducing kinase IRAK3, IKBKB, IKBKG CYP2A6 4230/4885TAAR1 4597/4885CCR5 449/4885
US-20130096119-A1 Isoquinolin-3-Ylurea Derivatives CLIC1, IRF3, KCNH3 CYP2A6 1013/4885TAAR1 2590/4885CCR5 198/4885
US-20240199605-A1 SMALL MOLECULAR INHIBITORS OF NF-kB INDUCING KINASE NFKBIA, IKBKB, IKBKE CYP2A6 4244/4885TAAR1 4836/4885CCR5 1703/4885

“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.