SCHEMBL2148737

SCHEMBL2148737

CCOc1c(Cl)nc(Cl)nc1Cl

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.39
NFKB1 P19838 1/20 0.39
ALDH1A1 P00352 4/20 0.38
LMNA P02545 2/20 0.34
TSHR P16473 2/20 0.33
ALOX15 P16050 1/20 0.33
HPGD P15428 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
CYP1A2 P05177 1/20 0.32
POLB P06746 2/20 0.32
GAA P10253 1/20 0.32
MAPT P10636 2/20 0.31
KMT2A Q03164 1/20 0.31
HTT P42858 1/20 0.31
NQO1 P15559 1/20 0.31
ENPP1 P22413 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
SCHEMBL27831021 0.81 ENPP1 (0.33) KDM4ENFKB1ALDH1A1LMNATSHR
SCHEMBL7166604 0.80 KDM4E (0.33) KDM4ENFKB1ALDH1A1LMNAHPGD
SCHEMBL18142979 0.79 TDP1 (0.36) KDM4EALDH1A1LMNAALOX15HPGD
SCHEMBL28980357 0.75 ALDH1A1 (0.33) ALDH1A1TSHRALOX15
SCHEMBL15496427 0.75 KDM4E (0.43) KDM4EALDH1A1TSHRHPGDSMN1; SMN2
SCHEMBL24554758 0.73 CDK1 (0.31)
SCHEMBL4288762 0.73 ALDH1A1 (0.34) KDM4EALDH1A1TSHRHPGDSMN1; SMN2
SCHEMBL6051593 0.72 POLB (0.48) KDM4ENFKB1ALDH1A1LMNATSHR
SCHEMBL1391361 0.72 KDM4E (0.44) KDM4ENFKB1ALDH1A1LMNATSHR
SCHEMBL27753166 0.72 ALDH1A1 (0.33) ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9801888-B2 Pyrimidine compounds as mTOR and PI3K inhibitors DEVELOPMENT CENTER FOR BIOTECHNOLOGY (TW) 2017-10-31 US disclosed
US-9801888-B2 Pyrimidine compounds as mTOR and PI3K inhibitors DEVELOPMENT CENTER FOR BIOTECHNOLOGY (TW) 2017-10-31 US disclosed
EP-2519102-B1 NOVEL PYRIMIDINE COMPOUNDS AS mTOR AND PI3K INHIBITORS DEV CENTER BIOTECHNOLOGY (TW) 2016-10-19 EP disclosed
US-20160136176-A1 NOVEL PYRIMIDINE COMPOUNDS AS mTOR AND PI3K INHIBITORS DEVELOPMENT CENTER FOR BIOTECHNOLOGY (TW) 2016-05-19 US disclosed
US-20160136176-A1 NOVEL PYRIMIDINE COMPOUNDS AS mTOR AND PI3K INHIBITORS DEVELOPMENT CENTER FOR BIOTECHNOLOGY (TW) 2016-05-19 US disclosed
US-9315491-B2 Pyrimidine compounds as mTOR and PI3K inhibitors DEVELOPMENT CENTER FOR BIOTECHNOLOGY (TW) 2016-04-19 US disclosed
US-9315491-B2 Pyrimidine compounds as mTOR and PI3K inhibitors DEVELOPMENT CENTER FOR BIOTECHNOLOGY (TW) 2016-04-19 US disclosed
US-20140178360-A1 NOVEL PYRIMIDINE COMPOUNDS AS mTOR AND PI3K INHIBITORS DCB-USA LLC (US) 2014-06-26 US disclosed
US-20140178360-A1 NOVEL PYRIMIDINE COMPOUNDS AS mTOR AND PI3K INHIBITORS DCB-USA LLC (US) 2014-06-26 US disclosed
US-20120288492-A1 NOVEL PYRIMIDINE COMPOUNDS AS mTOR AND PI3K INHIBITORS DCB-USA LLC (US) 2012-11-15 US disclosed
US-20120288492-A1 NOVEL PYRIMIDINE COMPOUNDS AS mTOR AND PI3K INHIBITORS DCB-USA LLC (US) 2012-11-15 US disclosed
EP-2519102-A2 NOVEL PYRIMIDINE COMPOUNDS AS mTOR AND PI3K INHIBITORS Development Center For Biotechnology (TW) 2012-11-07 EP disclosed
WO-2011080568-A2 NOVEL PYRIMIDINE COMPOUNDS AS MTOR AND P13K INHIBITORS DEVELOPMENT CENTER FOR BIOTECHNOLOGY (TW) 2011-07-07 WO disclosed
WO-2011080568-A2 NOVEL PYRIMIDINE COMPOUNDS AS MTOR AND P13K INHIBITORS DEVELOPMENT CENTER FOR BIOTECHNOLOGY (TW) 2011-07-07 WO disclosed
US-3984411-A HYPOCHOLESTEROLEMICS, HYPOGLYCEMICS OR ANTIDIABETICS SOCIETE GENERALE DE RECHERCHES ET D'APPLICATIONS SCIENTIFIQUES "SOGERAS" (FR) 1976-10-05 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 (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-20120288492-A1 NOVEL PYRIMIDINE COMPOUNDS AS mTOR AND PI3K INHIBITORS MTOR, PIK3CA, TYMS KDM4E 1949/4885NFKB1 2082/4885ALDH1A1 2963/4885
US-20160136176-A1 NOVEL PYRIMIDINE COMPOUNDS AS mTOR AND PI3K INHIBITORS MTOR, PIK3CA, TYMS KDM4E 1949/4885NFKB1 2082/4885ALDH1A1 2963/4885
US-20140178360-A1 NOVEL PYRIMIDINE COMPOUNDS AS mTOR AND PI3K INHIBITORS MTOR, PIK3CA, TYMS KDM4E 1949/4885NFKB1 2082/4885ALDH1A1 2963/4885

“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.