SCHEMBL20162004

SCHEMBL20162004

Nc1ncc(Sc2ccc(O)c(C(=O)O)c2)s1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 2/20 0.48
PTGS2 P35354 2/20 0.44
MEN1 O00255 2/20 0.44
KDR P35968 2/20 0.44
KMT2A Q03164 2/20 0.44
KDM4E B2RXH2 1/20 0.44
ALDH1A1 P00352 1/20 0.44
TNF P01375 1/20 0.44
CYP3A4 P08684 1/20 0.44
HSPD1 P10809 1/20 0.44
THRB P10828 1/20 0.44
CYP2C9 P11712 1/20 0.44
HPGD P15428 1/20 0.44
ALOX15 P16050 1/20 0.44
CASP1 P29466 1/20 0.44
CYP2C19 P33261 1/20 0.44
BRCA1 P38398 1/20 0.44
RECQL P46063 1/20 0.44
CASP7 P55210 1/20 0.44
HSPE1 P61604 1/20 0.44

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
SCHEMBL29932940 1.00 MCL1 (0.48) MCL1PTGS2MEN1KDRKMT2A
SCHEMBL29932895 0.82 TXK (0.45) KDM4EALDH1A1HPGDITKNTRK1
SCHEMBL20161728 0.82 TXK (0.45) KDM4EALDH1A1HPGDITKNTRK1
SCHEMBL29623237 0.75 MCL1 (0.71) MCL1PTGS2MEN1KDRKMT2A
SCHEMBL341888 0.75 MCL1 (0.71) MCL1PTGS2MEN1KDRKMT2A
SCHEMBL9426129 0.75 NR1H2 (0.45) ALDH1A1CYP3A4THRBALOX15CASP1
SCHEMBL12046941 0.73 KDM4E (0.47) KDM4EALDH1A1TDP1CSNK2A1CA1
SCHEMBL5171580 0.71 CYP3A4 (0.48) MEN1KMT2AALDH1A1CYP3A4
SCHEMBL15587224 0.71 MYC (0.47) ALDH1A1HPGDCSNK2A1HTT
SCHEMBL28443457 0.71 SMN1; SMN2 (0.45) MCL1KMT2AKDM4EALDH1A1HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11897874-B2 Compounds and methods for modulating Interleukin-2-inducible T-cell kinase CORVUS PHARMACEUTICALS, INC. (US) 2024-02-13 US disclosed
US-11897874-B2 Compounds and methods for modulating Interleukin-2-inducible T-cell kinase CORVUS PHARMACEUTICALS, INC. (US) 2024-02-13 US disclosed
EP-3534899-B1 COMPOUNDS AND METHODS FOR MODULATING INTERLEUKIN-2-INDUCIBLE T-CELL KINASE CORVUS PHARMACEUTICALS INC (US) 2022-06-01 EP disclosed
US-11008314-B2 Compounds and methods for modulating interleukin-2-inducible t-cell kinase CORVUS PHARMACEUTICALS, INC. (US) 2021-05-18 US disclosed
WO-2018089261-A2 COMPOUNDS AND METHODS FOR MODULATING INTERLEUKIN-2-INDUCIBLE T-CELL KINASE CORVUS PHARMACEUTICALS, INC. (US) 2018-05-17 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-11008314-B2 Compounds and methods for modulating interleukin-2-inducible t-cell kinase IL2, NFATC1, IL2RA MCL1 37/4885PTGS2 173/4885MEN1 4727/4885
US-11897874-B2 Compounds and methods for modulating Interleukin-2-inducible T-cell kinase IL2, NFATC1, IL2RA MCL1 37/4885PTGS2 173/4885MEN1 4727/4885

“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.