SCHEMBL2817366

SCHEMBL2817366

COc1nc(Cl)ncc1I

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.43
KDM4E B2RXH2 2/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
PIN1 Q13526 9/20 0.39
GAA P10253 1/20 0.36
CYP1A2 P05177 1/20 0.36
POLB P06746 1/20 0.32
CASP6 P55212 1/20 0.32
HTT P42858 1/20 0.31
LRRK2 Q5S007 1/20 0.30
PDCD1 Q15116 1/20 0.30
CD274 Q9NZQ7 1/20 0.30
KMT2A Q03164 1/20 0.30
ATF1 P18846 1/20 0.30
NFKB1 P19838 1/20 0.30

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
SCHEMBL15585227 0.80 KDM4E (0.33) ALDH1A1KDM4ESMN1; SMN2PIN1GAA
SCHEMBL15585186 0.79 KDM4E (0.33) ALDH1A1KDM4ESMN1; SMN2PIN1
SCHEMBL1981633 0.78 ALDH1A1 (0.46) ALDH1A1KDM4ESMN1; SMN2PIN1GAA
SCHEMBL15585226 0.77 PIN1 (0.35) ALDH1A1KDM4ESMN1; SMN2PIN1
SCHEMBL1471865 0.77 QPCT (0.39) ALDH1A1KDM4ESMN1; SMN2GAACYP1A2
SCHEMBL1996295 0.77 ALDH1A1 (0.44) ALDH1A1KDM4ESMN1; SMN2PIN1GAA
SCHEMBL2437490 0.77 ALDH1A1 (0.53) ALDH1A1KDM4ESMN1; SMN2PIN1GAA
SCHEMBL30786798 0.77 ALDH1A1 (0.53) ALDH1A1KDM4ESMN1; SMN2PIN1GAA
SCHEMBL19103239 0.77 P2RX3 (0.37) HTTLRRK2KMT2A
SCHEMBL29809151 0.77 QPCT (0.39) ALDH1A1KDM4ESMN1; SMN2GAACYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3075730-B1 AMINOPYRIMIDINE DERIVATIVES AS LRRK2 MODULATORS GENENTECH INC (US) 2018-10-24 EP disclosed
EP-2840080-B1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND OR SALT THEREOF FUJIFILM CORP (JP) 2017-12-06 EP disclosed
EP-2840080-B1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND OR SALT THEREOF FUJIFILM CORP (JP) 2017-12-06 EP disclosed
EP-2785699-B1 2-PHENYLAMINOPYRIMIDINE DERIVATIVES AS KINASE LRRK2 MODULATORS FOR THE TREATMENT OF PARKINSON'S DISEASE GENENTECH INC (US) 2017-09-06 EP disclosed
EP-2785699-B1 2-PHENYLAMINOPYRIMIDINE DERIVATIVES AS KINASE LRRK2 MODULATORS FOR THE TREATMENT OF PARKINSON'S DISEASE GENENTECH INC (US) 2017-09-06 EP disclosed
EP-2807152-B1 AMINOPYRIMIDINE DERIVATIVES AS LRRK2 MODULATORS GENENTECH INC (US) 2017-07-19 EP disclosed
EP-2807152-B1 AMINOPYRIMIDINE DERIVATIVES AS LRRK2 MODULATORS GENENTECH INC (US) 2017-07-19 EP disclosed
EP-2785709-B1 AMINOPYRIMIDINE DERIVATIVES AS LRRK2 MODULATORS GENENTECH INC (US) 2017-05-10 EP disclosed
EP-2785709-B1 AMINOPYRIMIDINE DERIVATIVES AS LRRK2 MODULATORS GENENTECH INC (US) 2017-05-10 EP disclosed
EP-3121173-A1 AMINOPYRIMIDINE DERIVATIVES AS LRRK2 MODULATORS F. Hoffmann-La Roche AG (CH) 2017-01-25 EP disclosed
US-20090099219-A1 ALKYNYLPYRIMIDINES AND SALTS THEREOF, PHARMACEUTICAL COMPOSITIONS COMPRISING SAME, METHODS OF PREPARING SAME AND USES OF SAME BAYER INTELLECTUAL PROPERTY GMBH (DE) 2009-04-16 US disclosed
EP-2022785-A1 Alkynylpyrimidines as Tie2 kinase inhibitors Bayer Schering Pharma Aktiengesellschaft (DE) 2009-02-11 EP disclosed
EP-2022785-A1 Alkynylpyrimidines as Tie2 kinase inhibitors Bayer Schering Pharma Aktiengesellschaft (DE) 2009-02-11 EP disclosed
WO-2008155140-A1 ALKYNYLPYRIMIDINES AS TIE2 KINASE INHIBITORS BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2008-12-24 WO disclosed
WO-2008155140-A1 ALKYNYLPYRIMIDINES AS TIE2 KINASE INHIBITORS BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2008-12-24 WO disclosed
EP-1963282-A1 SULFOXIMINE-SUBSTITUTED PYRIMIDINES , THEIR PREPARATION AND USE AS DRUGS Bayer Schering Pharma Aktiengesellschaft (DE) 2008-09-03 EP disclosed
US-20070232632-A1 Sulfoximine-substituted pyrimidines, processes for production thereof and use thereof as drugs BAYER INTELLECTUAL PROPERTY GMBH (DE) 2007-10-04 US disclosed
US-20070232632-A1 Sulfoximine-substituted pyrimidines, processes for production thereof and use thereof as drugs BAYER INTELLECTUAL PROPERTY GMBH (DE) 2007-10-04 US disclosed
US-20070232632-A1 Sulfoximine-substituted pyrimidines, processes for production thereof and use thereof as drugs BAYER INTELLECTUAL PROPERTY GMBH (DE) 2007-10-04 US disclosed
WO-2007071455-A1 SULFOXIMINE-SUBSTITUTED PYRIMIDINES , THEIR PREPARATION AND USE AS DRUGS BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2007-06-28 WO 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-20090099219-A1 ALKYNYLPYRIMIDINES AND SALTS THEREOF, PHARMACEUTICAL COMPOSITIONS COMPRISING SAME, METHODS OF PREPARING SAME AND USES OF SAME KDR, TIE1, FLT1 ALDH1A1 952/4885KDM4E 995/4885SMN1; SMN2 790/4885
US-20070232632-A1 Sulfoximine-substituted pyrimidines, processes for production thereof and use thereof as drugs TYMS, DPYD, DHFR ALDH1A1 328/4885KDM4E 3039/4885SMN1; SMN2 2555/4885

“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.