SCHEMBL1668366

SCHEMBL1668366

O=[N+]([O-])c1ccnc(Cl)n1

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PIN1 Q13526 10/20 0.39
ALDH1A1 P00352 4/20 0.39
KDM4E B2RXH2 3/20 0.39
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
TDP1 Q9NUW8 3/20 0.39
TRPV1 Q8NER1 1/20 0.39
PDE10A Q9Y233 1/20 0.35
MAPT P10636 2/20 0.35
PKM P14618 2/20 0.35
HTT P42858 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
LMNA P02545 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
HSP90AA1 P07900 1/20 0.35
OPRK1 P41145 1/20 0.35

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
SCHEMBL3293002 0.77 PDE10A (0.36) ALDH1A1KDM4EMEN1KMT2ATDP1
SCHEMBL1265708 0.75 ROCK1 (0.50) MAPTLMNAHSP90AA1
SCHEMBL28033503 0.75 PDE10A (0.35) ALDH1A1KDM4EMEN1KMT2ATDP1
SCHEMBL251217 0.75 SOS1 (0.37) PIN1ALDH1A1KDM4EMEN1KMT2A
SCHEMBL12777859 0.75 ALDH1A1 (0.42) ALDH1A1KDM4EMEN1KMT2APDE10A
SCHEMBL537339 0.75 MAPT (0.39) ALDH1A1KDM4EMEN1KMT2ATDP1
SCHEMBL21426310 0.74 PIN1 (0.37) PIN1MEN1KMT2AMAPTLMNA
SCHEMBL826540 0.71 ALDH1A1 (0.44) ALDH1A1KDM4EMEN1KMT2ATDP1
SCHEMBL29736537 0.71 ALDH1A1 (0.44) ALDH1A1KDM4EMEN1KMT2ATDP1
SCHEMBL2369694 0.71 PIK3CA (0.57) MEN1KMT2ATDP1MAPTPKM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10844064-B2 sGC stimulators CYCLERION THERAPEUTICS, INC. (US) 2020-11-24 US disclosed
US-10668051-B2 Modulators of calcium release-activated calcium channel RHIZEN PHARMACEUTICALS SA (CH) 2020-06-02 US disclosed
US-10414768-B2 Compounds for treating cystic fibrosis CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (CNRS) (FR) 2019-09-17 US disclosed
CN-110078741-A Ring-fused pyrimidines An base Yan Sheng Wu ﹑ preparation method, intermediate, pharmaceutical composition and application 广州再极医药科技有限公司 2019-08-02 CN disclosed
US-10344017-B2 Pyrrolcarboxamide derivatives for the inhibition of ERK5 CANCER RESEARCH TECH LTD (GB) 2019-07-09 US disclosed
US-20190160046-A1 NOVEL MODULATORS OF CALCIUM RELEASE-ACTIVATED CALCIUM CHANNEL RHIZEN PHARMACEUTICALS AG (CH) 2019-05-30 US disclosed
CN-109748885-A A kind of preparation method of Ceritinib intermediate and Ceritinib 新发药业有限公司 2019-05-14 CN disclosed
US-10246450-B2 Modulators of calcium release-activated calcium channel RHIZEN PHARMACEUTICALS SA (CH) 2019-04-02 US disclosed
US-20180222898-A1 NOVEL MODULATORS OF CALCIUM RELEASE-ACTIVATED CALCIUM CHANNEL RHIZEN PHARMACEUTICALS AG (CH) 2018-08-09 US disclosed
US-20180170911-A1 PYRROLCARBOXAMIDE DERIVATIVES FOR THE INHIBITION OF ERK5 CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2018-06-21 US disclosed
EP-0138995-B1 REGULATION OF ENZYMES WHICH UTILIZE TETRAHYDROBIOPTERIN OR TETRAHYDROFOLATE COFACTORS WITH 6, 6-DISUBSTITUTED-TETRAHYDROPTERIDINES South Alabama Medical Science Foundation (US) 1991-08-14 EP disclosed
EP-0283742-A2 Fatty acid amides as inhibitors of acyl-CoA: cholesterol acyltransferase WARNER-LAMBERT COMPANY (US) 1988-09-28 EP disclosed
US-4743605-A PREVENT ABSORPTION OF CHOLESTEROL WARNER-LAMBERT COMPANY (US) 1988-05-10 US disclosed
EP-0138995-A4 REGULATION OF ENZYMES WHICH UTILIZE TETRAHYDROBIOPTERIN OR TETRAHYDROFOLATE COFACTORS WITH 6, 6-DISUBSTITUTED-TETRAHYDROPTERIDINES. UNIV SOUTH ALABAMA (US) 1988-05-10 EP disclosed
US-4716175-A INHIBITION OF INTESTINAL ABSORPTION OF CHOLESTEROL WARNER-LAMBERT COMPANY (US) 1987-12-29 US disclosed
EP-0138995-A1 REGULATION OF ENZYMES WHICH UTILIZE TETRAHYDROBIOPTERIN OR TETRAHYDROFOLATE COFACTORS WITH 6, 6-DISUBSTITUTED-TETRAHYDROPTERIDINES. UNIV SOUTH ALABAMA (US) 1985-05-02 EP disclosed
EP-0039037-B1 PYRIMIDYLTHIO-UREAS, MEDICINES CONTAINING THEM AND THEIR USE Beiersdorf Aktiengesellschaft (DE) 1985-01-16 EP disclosed
WO-1984004040-A1 REGULATION OF ENZYMES WHICH UTILIZE TETRAHYDROBIOPTERIN OR TETRAHYDROFOLATE COFACTORS WITH 6, 6-DISUBSTITUTED-TETRAHYDROPTERIDINES UNIV SOUTH ALABAMA (US) 1984-10-25 WO disclosed
US-4434167-A Pyrimidyl thioureas useful for the treatment of hypertension and hyperlipidemia BEIERSDORF AKTIENGESELLSCHAFT (DE) 1984-02-28 US disclosed
EP-0039037-A1 Pyrimidylthio-ureas, medicines containing them and their use Beiersdorf Aktiengesellschaft (DE) 1981-11-04 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 (8 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-10668051-B2 Modulators of calcium release-activated calcium channel ORAI1, CACNB2, CACNB1 PIN1 4706/4885ALDH1A1 3752/4885KDM4E 3583/4885
US-20180170911-A1 PYRROLCARBOXAMIDE DERIVATIVES FOR THE INHIBITION OF ERK5 MAPKAPK5, MAP3K5, MAPK15 PIN1 175/4885ALDH1A1 2159/4885KDM4E 1866/4885
US-10414768-B2 Compounds for treating cystic fibrosis CFTR, ABCB11, SLC26A4 PIN1 985/4885ALDH1A1 186/4885KDM4E 2899/4885
US-20190160046-A1 NOVEL MODULATORS OF CALCIUM RELEASE-ACTIVATED CALCIUM CHANNEL ORAI1, CACNB2, CACNA1E PIN1 4625/4885ALDH1A1 3912/4885KDM4E 3486/4885
US-10844064-B2 sGC stimulators GUCY1B1, GUCY1A1, PRKG1 PIN1 4878/4885ALDH1A1 1902/4885KDM4E 911/4885
US-20180222898-A1 NOVEL MODULATORS OF CALCIUM RELEASE-ACTIVATED CALCIUM CHANNEL ORAI1, CACNB2, CACNA1E PIN1 4625/4885ALDH1A1 3912/4885KDM4E 3486/4885
US-10246450-B2 Modulators of calcium release-activated calcium channel ORAI1, CACNB2, CACNB1 PIN1 4706/4885ALDH1A1 3752/4885KDM4E 3583/4885
US-10344017-B2 Pyrrolcarboxamide derivatives for the inhibition of ERK5 MAPKAPK5, MAP3K5, MAPK15 PIN1 175/4885ALDH1A1 2159/4885KDM4E 1866/4885

“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.