SCHEMBL12501435

SCHEMBL12501435

Nc1ccc2nc(-c3cccs3)oc2c1

nearest known ligand 0.78

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 7/20 0.78
▸ NPC1 O15118 5/20 0.78
▸ RAB9A P51151 5/20 0.78
▸ MAPT P10636 4/20 0.78
▸ TP53 P04637 3/20 0.78
▸ HSD17B10 Q99714 2/20 0.78
▸ GFER P55789 1/20 0.78
▸ ALDH1A1 P00352 7/20 0.58
▸ HPGD P15428 5/20 0.58
▸ SMN1; SMN2 Q16637 5/20 0.58
▸ MEN1 O00255 3/20 0.58
▸ KMT2A Q03164 3/20 0.58
▸ GLA P06280 2/20 0.58
▸ GAA P10253 2/20 0.58
▸ GPR119 Q8TDV5 7/20 0.54
▸ SYK P43405 1/20 0.51
▸ TDP1 Q9NUW8 1/20 0.50
▸ ATAD2 Q6PL18 1/20 0.50
▸ CYP1A2 P05177 1/20 0.49
▸ CYP2C19 P33261 1/20 0.49

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
SCHEMBL25027923 0.84 KDM4E (0.71) KDM4ENPC1RAB9AMAPTTP53
SCHEMBL29516443 0.81 NPC1 (0.65) KDM4ENPC1RAB9AMAPTTP53
SCHEMBL26745312 0.80 KDM4E (0.70) KDM4ENPC1RAB9AMAPTTP53
SCHEMBL27829133 0.79 KDM4E (0.65) KDM4ENPC1RAB9AMAPTTP53
SCHEMBL1129179 0.79 KDM4E (0.65) KDM4ENPC1RAB9AMAPTTP53
SCHEMBL2586944 0.78 GPR119 (0.54) KDM4ENPC1RAB9AMAPTTP53
SCHEMBL2590514 0.78 KDM4E (0.53) KDM4ENPC1RAB9AMAPTTP53
SCHEMBL30727507 0.77 GPR119 (0.59) KDM4ENPC1RAB9AMAPTTP53
SCHEMBL11767064 0.76 RAB9A (0.64) KDM4ENPC1RAB9AMAPTTP53
SCHEMBL28236480 0.76 RAB9A (0.67) KDM4ENPC1RAB9AMAPTTP53

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2668177-B1 SUBSTITUTED PYRIDINYL-PYRIMIDINES AND THEIR USE AS MEDICAMENTS BOEHRINGER INGELHEIM INT (DE) 2014-10-22 — — EP disclosed
US-8772305-B2 Substituted pyridinyl-pyrimidines and their use as medicaments BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-07-08 — — US disclosed
EP-2668177-A1 SUBSTITUTED PYRIDINYL-PYRIMIDINES AND THEIR USE AS MEDICAMENTS Boehringer Ingelheim International GmbH (DE) 2013-12-04 — — EP disclosed
US-20130023502-A1 SUBSTITUTED PYRIDINYL-PYRIMIDINES AND THEIR USE AS MEDICAMENTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-01-24 — — US disclosed
WO-2012101013-A1 SUBSTITUTED PYRIDINYL-PYRIMIDINES AND THEIR USE AS MEDICAMENTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-08-02 — — 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 (1 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-20130023502-A1 SUBSTITUTED PYRIDINYL-PYRIMIDINES AND THEIR USE AS MEDICAMENTS ADORA1, P2RY1, P2RY11 KDM4E 3725/4885NPC1 1380/4885RAB9A 4489/4885

“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.

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