SCHEMBL15311795

SCHEMBL15311795

CC1Cc2c(ccc(F)c2Cl)N1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 3/20 0.39
HTR2B P41595 2/20 0.39
HTR2A P28223 1/20 0.39
BRD4 O60885 4/20 0.36
CREBBP Q92793 4/20 0.36
EP300 Q09472 1/20 0.35
CYP2C9 P11712 3/20 0.34
NNMT P40261 1/20 0.34
ADORA3 P0DMS8 1/20 0.33
KCNH2 Q12809 1/20 0.33
PGR P06401 1/20 0.32
RAB9A P51151 1/20 0.31
HTR1A P08908 1/20 0.31
HTR1D P28221 1/20 0.31
HTR7 P34969 1/20 0.31
HTR5A P47898 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
TNF P01375 1/20 0.31
RIPK1 Q13546 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
SCHEMBL31170704 0.83 HTR2C (0.40) HTR2CHTR2BHTR2APGR
SCHEMBL11172350 0.83 HTR2C (0.40) HTR2CHTR2BHTR2APGR
SCHEMBL9035367 0.81 BRD4 (0.37) BRD4CREBBPEP300CYP2C9ADORA3
SCHEMBL9035052 0.81 NOTUM (0.44) HTR2CHTR2BHTR2ABRD4CREBBP
SCHEMBL9582635 0.81 NOTUM (0.44) HTR2CHTR2BHTR2ABRD4CREBBP
SCHEMBL9582630 0.81 BRD4 (0.37) BRD4CREBBPEP300CYP2C9ADORA3
SCHEMBL9703779 0.77 BRD4 (0.38) BRD4CREBBPEP300CYP2C9ADORA3
SCHEMBL13745465 0.76 HTR2A (0.41) HTR2CHTR2BHTR2ABRD4CREBBP
SCHEMBL12475566 0.74 CREBBP (0.44) BRD4CREBBPEP300RAB9AHTR5A
SCHEMBL15311967 0.74 CREBBP (0.44) BRD4CREBBPEP300RAB9AHTR5A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2658844-B1 NOVEL PYRIMIDINE DERIVATIVES, PREPARATION THEREOF, AND PHARMACEUTICAL USE THEREOF AS AKT(PKB) PHOSPHORYLATION INHIBITORS SANOFI SA (FR) 2016-10-26 EP disclosed
EP-2658844-B1 NOVEL PYRIMIDINE DERIVATIVES, PREPARATION THEREOF, AND PHARMACEUTICAL USE THEREOF AS AKT(PKB) PHOSPHORYLATION INHIBITORS SANOFI SA (FR) 2016-10-26 EP disclosed
US-9133168-B2 Pyrimidine derivatives, preparation thereof, and pharmaceutical use thereof as akt(pkb) phosphorylation inhibitors SANOFI (FR) 2015-09-15 US disclosed
US-9133168-B2 Pyrimidine derivatives, preparation thereof, and pharmaceutical use thereof as akt(pkb) phosphorylation inhibitors SANOFI (FR) 2015-09-15 US disclosed
US-9133168-B2 Pyrimidine derivatives, preparation thereof, and pharmaceutical use thereof as akt(pkb) phosphorylation inhibitors SANOFI (FR) 2015-09-15 US disclosed
US-20130274253-A1 NOVEL PYRIMIDINE DERIVATIVES, PREPARATION THEREOF, AND PHARMACEUTICAL USE THEREOF AS AKT(PKB) PHOSPHORYLATION INHIBITORS SANOFI (FR) 2013-10-17 US disclosed
US-20130274253-A1 NOVEL PYRIMIDINE DERIVATIVES, PREPARATION THEREOF, AND PHARMACEUTICAL USE THEREOF AS AKT(PKB) PHOSPHORYLATION INHIBITORS SANOFI (FR) 2013-10-17 US disclosed
US-20130274253-A1 NOVEL PYRIMIDINE DERIVATIVES, PREPARATION THEREOF, AND PHARMACEUTICAL USE THEREOF AS AKT(PKB) PHOSPHORYLATION INHIBITORS SANOFI (FR) 2013-10-17 US 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-20130274253-A1 NOVEL PYRIMIDINE DERIVATIVES, PREPARATION THEREOF, AND PHARMACEUTICAL USE THEREOF AS AKT(PKB) PHOSPHORYLATION INHIBITORS TYMP, PIK3CA, PDPK1 HTR2C 3622/4885HTR2B 2104/4885HTR2A 2904/4885

“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.