SCHEMBL2997969

SCHEMBL2997969

CC1Cc2ccc(F)cc2N1

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.44
HTR2A P28223 1/20 0.42
HTR2C P28335 1/20 0.42
HTR5A P47898 2/20 0.40
BRD4 O60885 3/20 0.38
CREBBP Q92793 3/20 0.38
AR P10275 2/20 0.38
TSHR P16473 1/20 0.38
EP300 Q09472 1/20 0.38
PGR P06401 1/20 0.38
LMNA P02545 1/20 0.37
GAA P10253 1/20 0.37
MAPT P10636 1/20 0.37
ADRA2A P08913 1/20 0.37
PNMT P11086 1/20 0.37
ADRA2B P18089 1/20 0.37
ADRA2C P18825 1/20 0.37

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
SCHEMBL30681298 0.86 LMNA (0.46) ACHEHTR2AHTR2CHTR5ABRD4
SCHEMBL8937088 0.86 LMNA (0.46) ACHEHTR2AHTR2CHTR5ABRD4
SCHEMBL29529402 0.86 LMNA (0.46) ACHEHTR2AHTR2CHTR5ABRD4
SCHEMBL4102066 0.81 HTR2C (0.44) ACHEHTR2AHTR2CHTR5AAR
SCHEMBL21782466 0.78 ACHE (0.43) ACHEHTR2AHTR2CHTR5ABRD4
SCHEMBL7920989 0.78 ACHE (0.43) ACHEHTR2AHTR2CHTR5ABRD4
SCHEMBL7897325 0.76 CMA1 (0.43) HTR2AHTR2CHTR5ABRD4CREBBP
SCHEMBL94115 0.76 ESR2 (0.49) BRD4CREBBPTSHREP300LMNA
SCHEMBL8525664 0.76 BRD4 (0.38) BRD4CREBBPARTSHREP300
SCHEMBL30697867 0.76 PNMT (0.62) HTR2AHTR2CADRA2APNMTADRA2B

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 18 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
EP-1829872-B1 PROCESSES FOR PRODUCTION OF INDOLE COMPOUNDS NISSAN CHEMICAL IND LTD (JP) 2015-07-29 EP 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
CN-101468964-B Processes for producing indole compound NISSAN CHEMICAL IND LTD 2011-05-11 CN disclosed
US-20100197938-A1 Process for producing indole compoud NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2010-08-05 US disclosed
CN-100577659-C Processes for producing indole compound NISSAN CHEMICAL IND LTD 2010-01-06 CN disclosed
CN-101468964-A Processes for producing indole compound NISSAN CHEMICAL IND LTD (JP) 2009-07-01 CN disclosed
EP-1829872-A1 PROCESSES FOR PRODUCTION OF INDOLE COMPOUNDS Nissan Chemical Industries, Ltd. (JP) 2007-09-05 EP disclosed
US-20070083053-A1 Process for producing indole compound NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2007-04-12 US disclosed
CN-1896075-A Processes for producing indole compound NISSAN CHEMICAL IND LTD (JP) 2007-01-17 CN disclosed
CN-1286832-C Process for producing indole compound NISSAN CHEMICAL IND LTD (JP) 2006-11-29 CN disclosed
CN-1646522-A Process for producing indole compound NISSAN CHEMICAL IND LTD (JP) 2005-07-27 CN 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 (3 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 ACHE 3761/4885HTR2A 2904/4885HTR2C 3622/4885
US-20100197938-A1 Process for producing indole compoud IDO1, IDO2, NOS2 ACHE 695/4885HTR2A 57/4885HTR2C 78/4885
US-20070083053-A1 Process for producing indole compound IDO2, IDO1, TDO2 ACHE 268/4885HTR2A 45/4885HTR2C 64/4885

“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.