SCHEMBL14919262

SCHEMBL14919262

O=Cc1ccc(F)cc1-c1cccnc1

nearest known ligand 0.57

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 4/20 0.57
CYP11B1 P15538 8/20 0.50
TDO2 P48775 1/20 0.50
CYP11B2 P19099 9/20 0.48
CYP3A4 P08684 2/20 0.43
CYP2A6 P11509 2/20 0.43
CYP2E1 P05181 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2B6 P20813 1/20 0.43
CYP2C19 P33261 1/20 0.43
DHODH Q02127 1/20 0.43
ALDH1A1 P00352 1/20 0.42
CYP1A2 P05177 1/20 0.42
HTT P42858 1/20 0.42

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
SCHEMBL19153418 0.82 ERN1 (0.47) ERN1CYP11B1CYP11B2ALDH1A1
SCHEMBL6710790 0.81 ERN1 (0.54) ERN1CYP11B1CYP11B2CYP3A4CYP2A6
SCHEMBL14841074 0.80 ERN1 (0.45) ERN1ALDH1A1
SCHEMBL11252752 0.80 ERN1 (0.41) ERN1DHODHALDH1A1
SCHEMBL894805 0.78 ERN1 (0.57) ERN1CYP11B1CYP11B2CYP3A4CYP2A6
SCHEMBL19153520 0.78 NT5E (0.41) ERN1CYP11B1CYP11B2CYP3A4ALDH1A1
SCHEMBL15624620 0.78 TDO2 (0.56) ERN1CYP11B1TDO2CYP11B2CYP3A4
SCHEMBL19153961 0.76 PELI1 (0.48) ERN1CYP3A4CYP2C9
SCHEMBL19153822 0.76 ERN1 (0.43) ERN1ALDH1A1
SCHEMBL7101000 0.76 ERN1 (0.54) ERN1CYP11B1CYP11B2CYP3A4CYP2A6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10654878-B2 Compounds of phosphinanes and azaphosphinanes, a process for their preparation and pharmaceutical compositions containing them LES LABORATOIRES SERVIER (FR) 2020-05-19 US disclosed
US-10336743-B2 Aminopyrimidine kinase inhibitors Jasco Pharmaceuticals, LLC (US) 2019-07-02 US disclosed
US-20190031693-A1 COMPOUNDS OF PHOSPHINANES AND AZAPHOSPHINANES, A PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM LES LABORATOIRES SERVIER (FR) 2019-01-31 US disclosed
US-20180016288-A1 COMPOUNDS OF PHOSPHINANES AND AZAPHOSPHINANES, A PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM LES LABORATOIRES SERVIER (FR) 2018-01-18 US disclosed
US-20180016288-A1 COMPOUNDS OF PHOSPHINANES AND AZAPHOSPHINANES, A PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM LES LABORATOIRES SERVIER (FR) 2018-01-18 US disclosed
US-20170247367-A1 AMINOPYRIMIDINE KINASE INHIBITORS P2K DYNAMICS INC. 2017-08-31 US disclosed
WO-2017121969-A1 NOVEL PHOSPHINANE AND AZAPHOSPHINANE DERIVATIVES, METHOD FOR PREPARING SAME AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME LES LABORATOIRES SERVIER (FR) 2017-07-20 WO disclosed
CN-104011046-B Aminopyrimidine kinase inhibitors 嘉世高制药公司 2017-05-03 CN disclosed
US-9629840-B2 Aminopyrimidine kinase inhibitors Jasco Pharmaceuticals, LLC (US) 2017-04-25 US disclosed
EP-2776432-B1 AMINOPYRIMIDINE KINASE INHIBITORS JASCO PHARMACEUTICALS LLC (US) 2017-03-29 EP disclosed
US-20150202205-A1 AMINOPYRIMIDINE KINASE INHIBITORS P2K DYNAMICS INC. 2015-07-23 US disclosed
US-8927525-B2 Aminopyrimidine kinase inhibitors Jasco Pharmaceuticals, LLC (US) 2015-01-06 US disclosed
EP-2776432-A1 AMINOPYRIMIDINE KINASE INHIBITORS Jasco Pharmaceuticals LLC (US) 2014-09-17 EP disclosed
US-20130310342-A1 Aminopyrimidine Kinase Inhibitors P2K DYNAMICS INC. 2013-11-21 US disclosed
WO-2013066684-A1 AMINOPYRIMIDINE KINASE INHIBITORS Jasco Pharmaceuticals, LLC (US) 2013-05-10 WO disclosed
CN-1694700-A Non-nucleoside reverse transcriptase inhibitors MEDIVIR AB (SE) 2005-11-09 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 (7 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-20170247367-A1 AMINOPYRIMIDINE KINASE INHIBITORS PIM1, PIM2, PIM3 ERN1 638/4885CYP11B1 2712/4885TDO2 1689/4885
US-10654878-B2 Compounds of phosphinanes and azaphosphinanes, a process for their preparation and pharmaceutical compositions containing them TK1, AK1, PHKA1 ERN1 411/4885CYP11B1 502/4885TDO2 2855/4885
US-20130310342-A1 Aminopyrimidine Kinase Inhibitors PIM1, PIM2, PIM3 ERN1 572/4885CYP11B1 2400/4885TDO2 1431/4885
US-20180016288-A1 COMPOUNDS OF PHOSPHINANES AND AZAPHOSPHINANES, A PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM TK1, AK1, PHKA1 ERN1 411/4885CYP11B1 502/4885TDO2 2855/4885
US-20150202205-A1 AMINOPYRIMIDINE KINASE INHIBITORS PIM1, PIM2, PIM3 ERN1 572/4885CYP11B1 2400/4885TDO2 1431/4885
US-10336743-B2 Aminopyrimidine kinase inhibitors PIM1, PIM2, PIM3 ERN1 572/4885CYP11B1 2400/4885TDO2 1431/4885
US-20190031693-A1 COMPOUNDS OF PHOSPHINANES AND AZAPHOSPHINANES, A PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AK1, TK1, PHKA1 ERN1 402/4885CYP11B1 655/4885TDO2 3017/4885

“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.