SCHEMBL9035367

SCHEMBL9035367

CC1Cc2c(ccc(F)c2F)N1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 5/20 0.37
CREBBP Q92793 5/20 0.37
EP300 Q09472 1/20 0.37
RAB9A P51151 1/20 0.36
CHRNB2 P17787 1/20 0.36
CHRNB4 P30926 1/20 0.36
CHRNA3 P32297 1/20 0.36
CHRNA7 P36544 1/20 0.36
CHRNA4 P43681 1/20 0.36
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
AR P10275 2/20 0.31
PGR P06401 1/20 0.31
ALDH1A1 P00352 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
CYP2C9 P11712 2/20 0.31
LMNA P02545 1/20 0.31
GAA P10253 1/20 0.31
MAPT P10636 1/20 0.31
TSHR P16473 1/20 0.30

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
SCHEMBL9582630 1.00 BRD4 (0.37) BRD4CREBBPEP300RAB9ACHRNB2
SCHEMBL18220685 0.81 BRD4 (0.35) BRD4CREBBPEP300RAB9AMEN1
SCHEMBL15311795 0.81 HTR2C (0.39) BRD4CREBBPEP300RAB9AMEN1
SCHEMBL13980521 0.81 ALDH1A1 (0.35) BRD4CREBBPEP300RAB9AMEN1
SCHEMBL9598979 0.81 AR (0.31) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
SCHEMBL9035353 0.81 CYP2D6 (0.36) MEN1KMT2AALDH1A1SMN1; SMN2LMNA
SCHEMBL12475566 0.77 CREBBP (0.44) BRD4CREBBPEP300RAB9ACHRNB2
SCHEMBL15312070 0.77 CREBBP (0.44) BRD4CREBBPEP300RAB9ACHRNB2
SCHEMBL15311967 0.77 CREBBP (0.44) BRD4CREBBPEP300RAB9ACHRNB2
SCHEMBL10619645 0.77 CREBBP (0.41) BRD4CREBBPEP300MEN1KMT2A

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 11 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
EP-0390135-B1 Pyrroloquinoline derivatives, antimicrobial agents using the same and process for preparing the same OTSUKA PHARMA CO LTD (JP) 1996-06-05 EP disclosed
US-5185337-A Pyrroloquinoline derivatives and pharmaceutical compositions for antimicrobial use OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1993-02-09 US disclosed
EP-0390135-A1 Pyrroloquinoline derivatives, antimicrobial agents using the same and process for preparing the same OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1990-10-03 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-20130274253-A1 NOVEL PYRIMIDINE DERIVATIVES, PREPARATION THEREOF, AND PHARMACEUTICAL USE THEREOF AS AKT(PKB) PHOSPHORYLATION INHIBITORS TYMP, PIK3CA, PDPK1 BRD4 1794/4885CREBBP 581/4885EP300 3412/4885

“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.