SCHEMBL2878902

SCHEMBL2878902

CS(=O)(=O)c1cc(N)cc(-c2cc(C3CC3)[nH]n2)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 3/20 0.43
▸ KMT2A Q03164 3/20 0.43
▸ MKNK1 Q9BUB5 3/20 0.42
▸ MKNK2 Q9HBH9 3/20 0.42
▸ DRD4 P21917 3/20 0.40
▸ HCAR2 Q8TDS4 2/20 0.40
▸ HCAR3 P49019 1/20 0.40
▸ HTT P42858 4/20 0.38
▸ LMNA P02545 2/20 0.38
▸ SMN1; SMN2 Q16637 2/20 0.38
▸ CYP1A2 P05177 1/20 0.38
▸ CYP3A4 P08684 1/20 0.38
▸ CYP2C9 P11712 1/20 0.38
▸ CYP2C19 P33261 1/20 0.38
▸ DRD2 P14416 2/20 0.36
▸ DRD3 P35462 2/20 0.36
▸ S1PR2 O95136 1/20 0.36
▸ MAPT P10636 1/20 0.36
▸ ALOX12 P18054 1/20 0.36
▸ NPSR1 Q6W5P4 1/20 0.36

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
SCHEMBL2877982 0.78 CDK2 (0.42) HCAR2HTTUSP30
SCHEMBL4789856 0.76 HCAR2 (0.39) MEN1KMT2AMKNK1MKNK2DRD4
SCHEMBL25431152 0.73 MKNK1 (0.59) MEN1KMT2AMKNK1MKNK2DRD4
SCHEMBL27421814 0.73 MEN1 (0.54) MEN1KMT2AMKNK1MKNK2DRD4
SCHEMBL28032854 0.72 HCAR2 (0.40) MEN1KMT2AMKNK1MKNK2DRD4
SCHEMBL3346937 0.68 MKNK1 (0.51) MEN1KMT2AMKNK1MKNK2DRD4
SCHEMBL31259753 0.67 LOXL2 (0.54) —
SCHEMBL2374222 0.66 DRD4 (0.67) MEN1KMT2AMKNK1MKNK2DRD4
SCHEMBL8579108 0.66 MKNK1 (0.44) MEN1KMT2AMKNK1MKNK2DRD4
SCHEMBL2651077 0.66 G6PD (0.43) LMNACYP3A4CYP2C9ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8410100-B2 Pteridinone derivatives as PI3-kinases inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-04-02 — — US disclosed
US-8410100-B2 Pteridinone derivatives as PI3-kinases inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-04-02 — — US disclosed
US-8410100-B2 Pteridinone derivatives as PI3-kinases inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-04-02 — — US disclosed
EP-2114945-B1 PTERIDINONE DERIVATIVES AS PI3-KINASES INHIBITORS BOEHRINGER INGELHEIM INT (DE) 2010-10-20 — — EP disclosed
EP-2114945-B1 PTERIDINONE DERIVATIVES AS PI3-KINASES INHIBITORS BOEHRINGER INGELHEIM INT (DE) 2010-10-20 — — EP disclosed
US-20100099680-A1 PTERIDINONE DERIVATIVES AS P13-KINASES INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-04-22 — — US disclosed
US-20100099680-A1 PTERIDINONE DERIVATIVES AS P13-KINASES INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-04-22 — — US disclosed
US-20100099680-A1 PTERIDINONE DERIVATIVES AS P13-KINASES INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-04-22 — — US disclosed
EP-2114945-A1 PTERIDINONE DERIVATIVES AS PI3-KINASES INHIBITORS Boehringer Ingelheim International GmbH (DE) 2009-11-11 — — EP disclosed
WO-2008092831-A1 PTERIDINONE DERIVATIVES AS PI3-KINASES INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-08-07 — — WO disclosed
WO-2008092831-A1 PTERIDINONE DERIVATIVES AS PI3-KINASES INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-08-07 — — WO disclosed
EP-1953163-A1 Pteridinone derivatives as PI3-kinases inhibitors Boehringer Ingelheim Pharma GmbH & Co. KG (DE) 2008-08-06 — — EP disclosed
EP-1953163-A1 Pteridinone derivatives as PI3-kinases inhibitors Boehringer Ingelheim Pharma GmbH & Co. KG (DE) 2008-08-06 — — 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 (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-20100099680-A1 PTERIDINONE DERIVATIVES AS P13-KINASES INHIBITORS PIK3CA, PDPK1, PIK3C3 MEN1 2250/4885KMT2A 4005/4885MKNK1 96/4885

“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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