SCHEMBL13731111

SCHEMBL13731111

CC(NC(=O)O)C(=O)Nn1cccc1C(=O)NCC(F)(F)F

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACACB O00763 2/20 0.34
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
MAPK14 Q16539 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
JAK2 O60674 1/20 0.32
LYN P07948 1/20 0.32
FLT3 P36888 1/20 0.32
SYK P43405 1/20 0.32
TGFBR1 P36897 1/20 0.32
CARM1 Q86X55 1/20 0.32
PSEN1 P49768 1/20 0.31
PSEN2 P49810 1/20 0.31
APH1B Q8WW43 1/20 0.31
NCSTN Q92542 1/20 0.31

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
SCHEMBL15772590 0.86 CTSS (0.37) KMT2AJAK2
SCHEMBL15772589 0.86 CTSS (0.37) KMT2AJAK2
SCHEMBL13734135 0.81 NPC1 (0.57) NPC1RAB9AMEN1KMT2ACNR2
SCHEMBL13728858 0.78 SMN1; SMN2 (0.41) NPC1RAB9AMEN1KMT2ACYP1A2
SCHEMBL15956851 0.77 CYP2C9 (0.37) NPC1RAB9ACYP1A2CYP3A4CYP2C9
SCHEMBL15771740 0.77 ALDH1A1 (0.47) NPC1MEN1KMT2ACNR2
SCHEMBL15772229 0.76 ANPEP (0.33)
SCHEMBL13731696 0.76 RAB9A (0.46) NPC1RAB9AMEN1KMT2ACYP1A2
SCHEMBL13728974 0.76 POLB (0.41) MEN1KMT2ACYP1A2CYP3A4CYP2C9
SCHEMBL13730317 0.76 NPC1 (0.43) NPC1RAB9AMEN1KMT2ACYP1A2

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 ACACB 2569/4885NPC1 2267/4885RAB9A 1661/4885
US-20150099752-A9 PYRROLOTRIAZINONE DERIVATIVES AS PI3K INHIBITORS PIK3CD, PIK3CA, PIK3CB ACACB 1723/4885NPC1 2289/4885RAB9A 1381/4885

“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.