SCHEMBL13728974

SCHEMBL13728974

Cc1cccc(C)c1NC(=O)c1cccn1NC(=O)C(C)NC(=O)O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.41
ATM Q13315 2/20 0.40
ANPEP P15144 1/20 0.38
S1PR4 O95977 3/20 0.38
HSP90AA1 P07900 1/20 0.38
LCK P06239 1/20 0.36
ALDH1A1 P00352 1/20 0.36
CYP2C19 P33261 2/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2C9 P11712 1/20 0.36
NFKB1 P19838 1/20 0.36
MAPT P10636 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
CYP3A4 P08684 1/20 0.36
THRB P10828 1/20 0.35
RIPK1 Q13546 1/20 0.35
FPR1 P21462 1/20 0.35
TP53 P04637 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
SCHEMBL13728858 0.85 SMN1; SMN2 (0.41) POLBALDH1A1CYP2C19MEN1KMT2A
SCHEMBL15956851 0.79 CYP2C9 (0.37) CYP2C19CYP1A2CYP2C9SMN1; SMN2CYP3A4
SCHEMBL13731301 0.79 NPC1 (0.46) POLBALDH1A1MAPTSMN1; SMN2
SCHEMBL13505897 0.79 POLB (0.46) POLBALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL15771740 0.79 ALDH1A1 (0.47) ALDH1A1MEN1KMT2ASMN1; SMN2TP53
SCHEMBL13731431 0.78 ALPL (0.44) POLBALDH1A1KMT2ASMN1; SMN2TP53
SCHEMBL13730516 0.78 NPC1 (0.32) POLBCYP2C19CYP1A2CYP2C9SMN1; SMN2
SCHEMBL13731696 0.78 RAB9A (0.46) CYP2C19MEN1KMT2ACYP1A2CYP2C9
SCHEMBL13729899 0.78 CCNA2 (0.50) ATMLCKCYP2C19CYP1A2SMN1; SMN2
SCHEMBL13729355 0.76 RAB9A (0.50) POLBALDH1A1CYP2C19KMT2ACYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9340547-B2 Pyrrolotriazinone derivatives as inhibitors P13K ALMIRALL, S.A. (ES) 2016-05-17 US disclosed
EP-2702061-B9 PYRROLOTRIAZINONE DERIVATIVES AS PI3K INHIBITORS ALMIRALL SA (ES) 2016-02-24 EP disclosed
EP-2702061-B1 PYRROLOTRIAZINONE DERIVATIVES AS PI3K INHIBITORS ALMIRALL SA (ES) 2015-07-29 EP disclosed
US-20150099752-A9 PYRROLOTRIAZINONE DERIVATIVES AS PI3K INHIBITORS ALMIRALL, SA (ES) 2015-04-09 US disclosed
US-20140163033-A1 PYRROLOTRIAZINONE DERIVATIVES AS P13K INHIBITORS ALMIRALL, SA (ES) 2014-06-12 US disclosed
EP-2702061-A1 PYRROLOTRIAZINONE DERIVATIVES AS PI3K INHIBITORS Almirall S.A. (ES) 2014-03-05 EP disclosed
WO-2012146666-A1 PYRROLOTRIAZINONE DERIVATIVES AS PI3K INHIBITORS ALMIRALL, S.A. (ES) 2012-11-01 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-20140163033-A1 PYRROLOTRIAZINONE DERIVATIVES AS P13K INHIBITORS PIP4K2B, PDPK1, PI4KA POLB 589/4885ATM 451/4885ANPEP 3348/4885
US-20150099752-A9 PYRROLOTRIAZINONE DERIVATIVES AS PI3K INHIBITORS PIK3CD, PIK3CA, PIK3CB POLB 468/4885ATM 527/4885ANPEP 4055/4885

“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.