SCHEMBL747240

SCHEMBL747240

C=C(C)c1cncc(Br)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.55
HCAR2 Q8TDS4 1/20 0.55
HTT P42858 5/20 0.49
RAB9A P51151 4/20 0.49
KDM4E B2RXH2 1/20 0.48
ALOX15 P16050 1/20 0.47
SMN1; SMN2 Q16637 4/20 0.46
MAPT P10636 1/20 0.46
GAA P10253 2/20 0.42
ROCK2 O75116 1/20 0.42
ALDH1A1 P00352 1/20 0.42
ALOX12 P18054 1/20 0.42
ROCK1 Q13464 1/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
SMYD3 Q9H7B4 1/20 0.41
PKM P14618 1/20 0.41
NPC1 O15118 3/20 0.41
LMNA P02545 1/20 0.41
TAS1R3 Q7RTX0 1/20 0.40

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
SCHEMBL15400735 1.00 POLB (0.55) POLBHCAR2HTTRAB9AKDM4E
SCHEMBL18436981 0.80 POLB (0.63) POLBHCAR2HTTRAB9AKDM4E
SCHEMBL13808099 0.78 POLB (0.55) POLBHCAR2HTTRAB9AKDM4E
SCHEMBL431067 0.78 POLB (0.67) POLBHCAR2HTTRAB9AKDM4E
SCHEMBL29419336 0.78 POLB (0.67) POLBHCAR2HTTRAB9AKDM4E
SCHEMBL17321843 0.76 HCAR2 (0.57) HCAR2HTTRAB9AKDM4EALDH1A1
SCHEMBL1502732 0.75 POLB (0.52) POLBHCAR2HTTRAB9AKDM4E
SCHEMBL17828153 0.75 SMYD3 (0.47) POLBHCAR2HTTRAB9AKDM4E
SCHEMBL14395717 0.75 POLB (0.52) POLBHCAR2HTTRAB9AKDM4E
SCHEMBL3825532 0.75 KDM4E (0.59) POLBHCAR2HTTRAB9AKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3838903-A1 PYRROLO[2,3-D]PYRIMIDINE DERIVATIVE AS JANUS KINASE INHIBITOR Incyte Holdings Corporation (US) 2021-06-23 EP disclosed
EP-3466953-A1 PYRROLO[2,3-D]PYRIMIDINE DERIVATIVE AS JANUS KINASE INHIBITOR Incyte Holdings Corporation (US) 2019-04-10 EP disclosed
EP-2867232-B1 5-AZAINDAZOLE COMPOUNDS AND METHODS OF USE HOFFMANN LA ROCHE (CH) 2018-08-08 EP disclosed
EP-2867232-B1 5-AZAINDAZOLE COMPOUNDS AND METHODS OF USE HOFFMANN LA ROCHE (CH) 2018-08-08 EP disclosed
EP-2994467-B1 ARYLQUINAZOLINES MERCK PATENT GMBH (DE) 2018-08-01 EP disclosed
EP-3184526-A1 PYRROLO[2,3-D]PYRIMIDINE DERIVATIVES AS JANUS KINASE INHIBITOR Incyte Holdings Corporation (US) 2017-06-28 EP disclosed
US-9434725-B2 5-azaindazole compounds and methods of use F. HOFFMANN-LA ROCHE AG (CH) 2016-09-06 US disclosed
US-9434725-B2 5-azaindazole compounds and methods of use F. HOFFMANN-LA ROCHE AG (CH) 2016-09-06 US disclosed
US-9434725-B2 5-azaindazole compounds and methods of use F. HOFFMANN-LA ROCHE AG (CH) 2016-09-06 US disclosed
EP-2867232-A1 5-AZAINDAZOLE COMPOUNDS AND METHODS OF USE F. Hoffmann-La Roche AG (CH) 2015-05-06 EP disclosed
US-20120071512-A1 5-PYRIDIN-3-YL-1, 3-DIHYDRO-INDOL-2-ON DERIVATIVES AND THEIR USE AS MODULATORS OF ALDOSTERONE SYNTHASE AND/OR CYP11B1 NOVARTIS AG (CH) 2012-03-22 US disclosed
EP-2430011-A1 5-PYRIDIN-3-YL-1,3-DIHYDRO-INDOL-2-ON DERIVATIVES AND THEIR USE AS MODULATORS OF ALDOSTERONE SYNTHASE AND/OR CYP11B1 Novartis AG (CH) 2012-03-21 EP disclosed
WO-2010130794-A1 5-PYRIDIN-3-YL-1,3-DIHYDRO-INDOL-2-ON DERIVATIVES AND THEIR USE AS MODULATORS OF ALDOSTERONE SYNTHASE AND/OR CYP11B1 NOVARTIS AG (CH) 2010-11-18 WO disclosed
EP-1270582-B1 TRIPHENYLPHOSPHINE DERIVATIVES, PALLADIUM OR NICKEL COMPLEXES THEREOF, AND PROCESS FOR PREPARING BIARYL DERIVATIVES MITSUBISHI RAYON CO (JP) 2006-08-30 EP disclosed
US-6693210-B2 USING PALLADIUM, NICKEL PHOSPHINE COMPLEX AS CATALYSTS MITSUBISHI RAYON CO., LTD. (JP) 2004-02-17 US disclosed
US-20030065208-A1 Using palladium, nickel phosphine complex as catalysts MITSUBISHI RAYON CO., LTD. (JP) 2003-04-03 US disclosed
EP-1270582-A1 TRIPHENYLPHOSPHINE DERIVATIVE, PRODUCTION PROCESS THEREFOR, PALLADIUM COMPLEX THEREOF, AND PROCESS FOR PRODUCING BIARYL DERIVATIVE Mitsubishi Rayon Co., Ltd. (JP) 2003-01-02 EP disclosed
EP-0281110-B1 N-[2-(pyridyl)propyl]-N-substituted sulfonamide, herbicide containing the same as an active ingredient and intermediate thereof MITSUBISHI CHEM IND (JP) 1994-09-07 EP disclosed
US-4960897-A Herbicide containing 1-(halogenomethyl)-vinyl pyridines MITSUBISHI KASEI CORPORATION (JP) 1990-10-02 US disclosed
EP-0281110-A2 N-[2-(pyridyl)propyl]-N-substituted sulfonamide, herbicide containing the same as an active ingredient and intermediate thereof MITSUBISHI KASEI CORPORATION (JP) 1988-09-07 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 (2 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-20030065208-A1 Using palladium, nickel phosphine complex as catalysts PDCD1LG2, PIK3CA, PDCD1 POLB 1471/4885HCAR2 3697/4885HTT 682/4885
US-20120071512-A1 5-PYRIDIN-3-YL-1, 3-DIHYDRO-INDOL-2-ON DERIVATIVES AND THEIR USE AS MODULATORS OF ALDOSTERONE SYNTHASE AND/OR CYP11B1 CYP11B1, HSD11B1, CYP11B2 POLB 2259/4885HCAR2 1101/4885HTT 4716/4885

“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.