SCHEMBL14919320

SCHEMBL14919320

O=Cc1ccc(F)cc1-c1ccoc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 7/20 0.51
PELI1 Q96FA3 2/20 0.42
PTPN1 P18031 1/20 0.40
ALDH1A1 P00352 4/20 0.37
CYP1A2 P05177 3/20 0.37
CYP3A4 P08684 3/20 0.37
CLK4 Q9HAZ1 3/20 0.37
PARP1 P09874 1/20 0.37
TPI1 P60174 1/20 0.37
PARP2 Q9UGN5 1/20 0.37
MEN1 O00255 2/20 0.36
USP2 O75604 2/20 0.36
LMNA P02545 2/20 0.36
KMT2A Q03164 2/20 0.36
CYP2D6 P10635 1/20 0.36
TSHR P16473 1/20 0.36
CYP2C19 P33261 1/20 0.36
HIF1A Q16665 1/20 0.36
DHODH Q02127 1/20 0.35
KDM4E B2RXH2 1/20 0.34

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
SCHEMBL15646067 0.89 ERN1 (0.51) ERN1PELI1PTPN1ALDH1A1CYP1A2
SCHEMBL15645938 0.85 ERN1 (0.48) ERN1PELI1CYP3A4CLK4
SCHEMBL15645545 0.83 ERN1 (0.63) ERN1PELI1ALDH1A1CYP1A2CYP3A4
SCHEMBL15646708 0.80 ERN1 (0.48) ERN1PELI1PTPN1
SCHEMBL20030216 0.80 ERN1 (0.47) ERN1PELI1ALDH1A1CYP1A2CYP3A4
SCHEMBL15645548 0.80 ERN1 (0.46) ERN1PELI1ALDH1A1CYP1A2CYP3A4
SCHEMBL15646561 0.79 ERN1 (0.48) ERN1PELI1PTPN1
SCHEMBL21654599 0.79 KDM4E (0.47) ERN1PELI1ALDH1A1CYP1A2CYP3A4
SCHEMBL19153822 0.78 ERN1 (0.43) ERN1PTPN1ALDH1A1MEN1LMNA
SCHEMBL96128 0.78 ERN1 (0.51) ERN1PELI1ALDH1A1CYP1A2CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11149033-B2 Heteroaryl compound, enantiomer, diastereomer or pharmaceutically acceptable salt thereof, and antiviral composition containing same as active ingredient INSTITUT PASTEUR KOREA (KR) 2021-10-19 US disclosed
US-20200031816-A1 NOVEL HETEROARYL COMPOUND, ENANTIOMER, DIASTEREOMER OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF, AND ANTIVIRAL COMPOSITION CONTAINING SAME AS ACTIVE INGREDIENT ST PHARM CO., LTD. (KR) 2020-01-30 US disclosed
US-10336743-B2 Aminopyrimidine kinase inhibitors Jasco Pharmaceuticals, LLC (US) 2019-07-02 US 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (5 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-20200031816-A1 NOVEL HETEROARYL COMPOUND, ENANTIOMER, DIASTEREOMER OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF, AND ANTIVIRAL COMPOSITION CONTAINING SAME AS ACTIVE INGREDIENT ZC3HAV1, ZC3HAV1L, HAVCR2 ERN1 1948/4885PELI1 2916/4885PTPN1 747/4885
US-20130310342-A1 Aminopyrimidine Kinase Inhibitors PIM1, PIM2, PIM3 ERN1 572/4885PELI1 1296/4885PTPN1 455/4885
US-11149033-B2 Heteroaryl compound, enantiomer, diastereomer or pharmaceutically acceptable salt thereof, and antiviral composition containing same as active ingredient ZC3HAV1, ZC3HAV1L, HAVCR2 ERN1 2158/4885PELI1 3037/4885PTPN1 827/4885
US-20150202205-A1 AMINOPYRIMIDINE KINASE INHIBITORS PIM1, PIM2, PIM3 ERN1 572/4885PELI1 1296/4885PTPN1 455/4885
US-10336743-B2 Aminopyrimidine kinase inhibitors PIM1, PIM2, PIM3 ERN1 572/4885PELI1 1296/4885PTPN1 455/4885

“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.