SCHEMBL17596607

SCHEMBL17596607

Cc1c(C=O)ccc2c1cc(C#N)n2CCO

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.37
MEN1 O00255 6/20 0.37
KMT2A Q03164 5/20 0.37
KDM4E B2RXH2 3/20 0.36
RAB9A P51151 1/20 0.35
LMNA P02545 1/20 0.34
MAPT P10636 3/20 0.32
POLB P06746 1/20 0.32
ATM Q13315 1/20 0.32
ALDH1A1 P00352 3/20 0.31
MAPK1 P28482 1/20 0.31
STAT3 P40763 1/20 0.31
ESR1 P03372 1/20 0.31
ESR2 Q92731 1/20 0.31
PTGER4 P35408 1/20 0.31
BCL6 P41182 1/20 0.31
PGR P06401 1/20 0.31
HPGD P15428 1/20 0.31
CASP1 P29466 1/20 0.31
HSD17B10 Q99714 1/20 0.31

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
SCHEMBL30406055 0.88 ALDH1A1 (0.42) MEN1KDM4ERAB9ALMNAMAPT
SCHEMBL19300240 0.87 MEN1 (0.33) GAAMEN1KMT2ALMNAMAPT
SCHEMBL25422550 0.84 RAB9A (0.36) MEN1RAB9ALMNAMAPTPOLB
SCHEMBL20259682 0.83 HRH1 (0.38) MEN1KMT2AKDM4ERAB9ALMNA
SCHEMBL19300239 0.81 PTGER4 (0.33) MEN1KMT2ARAB9APTGER4
SCHEMBL19687746 0.81 CYP1A2 (0.34) MEN1KMT2ARAB9AALDH1A1MAPK1
SCHEMBL19687618 0.81 RAB9A (0.32) MEN1KDM4ERAB9AALDH1A1
SCHEMBL19687578 0.80 KDM1A (0.39) GAAMEN1KMT2AKDM4ERAB9A
SCHEMBL31027384 0.79 MEN1 (0.39) MEN1KDM4ERAB9AALDH1A1ESR1
SCHEMBL20248359 0.79 SIGMAR1 (0.42) MEN1KMT2AKDM4EALDH1A1MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-RE49687-E1 Thienopyrimidine and thienopyridine compounds and methods of use thereof THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2023-10-10 US disclosed
US-RE49687-E1 Thienopyrimidine and thienopyridine compounds and methods of use thereof THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2023-10-10 US disclosed
US-10246464-B2 Thienopyrimidine and thienopyridine compounds and methods of use thereof THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2019-04-02 US disclosed
US-10246464-B2 Thienopyrimidine and thienopyridine compounds and methods of use thereof THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2019-04-02 US disclosed
WO-2018106818-A1 METHODS OF PROMOTING BETA CELL PROLIFERATION KURA ONCOLOGY, INC. (US) 2018-06-14 WO disclosed
WO-2018106818-A1 METHODS OF PROMOTING BETA CELL PROLIFERATION KURA ONCOLOGY, INC. (US) 2018-06-14 WO disclosed
US-20170247391-A1 THIENOPYRIMIDINE AND THIENOPYRIDINE COMPOUNDS AND METHODS OF USE THEREOF WELLSPRING BIOSCIENCES LLC 2017-08-31 US disclosed
US-20170247391-A1 THIENOPYRIMIDINE AND THIENOPYRIDINE COMPOUNDS AND METHODS OF USE THEREOF WELLSPRING BIOSCIENCES LLC 2017-08-31 US disclosed
WO-2016040330-A1 THIENOPYRIMIDINE AND THIENOPYRIDINE COMPOUNDS AND METHODS OF USE THEREOF THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2016-03-17 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 (2 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-10246464-B2 Thienopyrimidine and thienopyridine compounds and methods of use thereof MLLT1, MEN1, TERF2IP GAA 4706/4885MEN1 2/4885KMT2A 11/4885
US-20170247391-A1 THIENOPYRIMIDINE AND THIENOPYRIDINE COMPOUNDS AND METHODS OF USE THEREOF MLLT1, MEN1, TERF2IP GAA 4706/4885MEN1 2/4885KMT2A 11/4885

“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.