SCHEMBL12501421

SCHEMBL12501421

COC(=O)c1cc2ccc(NC(=N)N)cc2n1C

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL1 Q9Y468 1/20 0.50
▸ KDM4E B2RXH2 3/20 0.46
▸ MAPT P10636 6/20 0.44
▸ F2 P00734 1/20 0.41
▸ F10 P00742 1/20 0.41
▸ PRSS1 P07477 1/20 0.41
▸ ALDH1A1 P00352 2/20 0.39
▸ LMNA P02545 2/20 0.39
▸ NPC1 O15118 2/20 0.39
▸ RAB9A P51151 2/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ CYP1A2 P05177 1/20 0.39
▸ CYP2C9 P11712 1/20 0.39
▸ CYP2C19 P33261 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ THRB P10828 1/20 0.39
▸ SMN1; SMN2 Q16637 3/20 0.38
▸ HSD17B10 Q99714 2/20 0.38
▸ HPGD P15428 1/20 0.38
▸ RXFP1 Q9HBX9 1/20 0.38

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
SCHEMBL12501310 0.90 L3MBTL1 (0.60) L3MBTL1KDM4EMAPTF10ALDH1A1
SCHEMBL16175487 0.78 MAPT (0.56) L3MBTL1KDM4EMAPTF10LMNA
SCHEMBL4535733 0.77 L3MBTL1 (0.57) L3MBTL1KDM4EMAPTALDH1A1LMNA
SCHEMBL3056564 0.76 L3MBTL1 (0.59) L3MBTL1KDM4EMAPTALDH1A1LMNA
SCHEMBL7881270 0.76 L3MBTL1 (0.59) L3MBTL1KDM4EMAPTALDH1A1LMNA
SCHEMBL29834934 0.75 L3MBTL1 (0.57) L3MBTL1KDM4EMAPTALDH1A1RAB9A
SCHEMBL2272634 0.75 L3MBTL1 (0.80) L3MBTL1KDM4EMAPTALDH1A1SMN1; SMN2
SCHEMBL20618589 0.75 L3MBTL1 (0.57) L3MBTL1KDM4EMAPTALDH1A1LMNA
SCHEMBL3924468 0.75 L3MBTL1 (0.57) L3MBTL1KDM4EMAPTF10ALDH1A1
SCHEMBL29834824 0.75 L3MBTL1 (0.57) L3MBTL1KDM4EMAPTF10ALDH1A1

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 10 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
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
US-8772305-B2 Substituted pyridinyl-pyrimidines and their use as medicaments BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-07-08 — — US 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
US-20130023502-A1 SUBSTITUTED PYRIDINYL-PYRIMIDINES AND THEIR USE AS MEDICAMENTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-01-24 — — US 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 L3MBTL1 4050/4885KDM4E 3725/4885MAPT 4540/4885

“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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