SCHEMBL17601115

SCHEMBL17601115

CC(C)(C)N(C(=O)O)c1ccc(Cl)c(O)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 3/20 0.38
ALDH1A1 P00352 2/20 0.38
HSD17B10 Q99714 2/20 0.38
TDP1 Q9NUW8 2/20 0.38
TSHR P16473 1/20 0.38
NR1H4 Q96RI1 4/20 0.36
HSP90AA1 P07900 2/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
APEX1 P27695 2/20 0.35
KDM4E B2RXH2 1/20 0.35
RGS12 O14924 1/20 0.35
USP2 O75604 1/20 0.35
POLB P06746 1/20 0.35
THRB P10828 1/20 0.35
PKM P14618 1/20 0.35
HPGD P15428 1/20 0.35
ALOX15 P16050 1/20 0.35
NFKB1 P19838 1/20 0.35
MAPK1 P28482 1/20 0.35

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
SCHEMBL1029350 0.86 CYP3A4 (0.42) CYP3A4ALDH1A1TSHRMEN1KMT2A
SCHEMBL17257958 0.82 POLB (0.37) CYP3A4MEN1KMT2AAPEX1POLB
SCHEMBL3510989 0.81 ALDH1A1 (0.37) CYP3A4ALDH1A1HSD17B10TDP1TSHR
SCHEMBL939505 0.80 HPGD (0.38) CYP3A4ALDH1A1HSD17B10TSHRNR1H4
SCHEMBL11001481 0.80 SMN1; SMN2 (0.49) CYP3A4ALDH1A1TDP1MEN1KMT2A
SCHEMBL2496442 0.80 KDR (0.49) ALDH1A1TSHRUSP2SMN1; SMN2LMNA
SCHEMBL2116607 0.80 POLB (0.35) CYP3A4ALDH1A1MEN1KMT2AKDM4E
SCHEMBL2116591 0.78 PPARG (0.33) CYP3A4ALDH1A1MEN1KMT2AKDM4E
SCHEMBL1290656 0.78 ESR1 (0.44) ALDH1A1HSD17B10TDP1NR1H4MEN1
SCHEMBL2472803 0.77 MEN1 (0.43) CYP3A4ALDH1A1HSD17B10TDP1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190135781-A1 PYRIDINYL QUINOLINONE DERIVATIVES AS MUTANT-ISOCITRATE DEHYDROGENASE INHIBITORS FORMA THERAPEUTICS, INC. 2019-05-09 US disclosed
US-9815817-B2 Quinolinone pyrimidines compositions as mutant-isocitrate dehydrogenase inhibitors FORMA THERAPEUTICS, INC. (US) 2017-11-14 US disclosed
US-20160083365-A1 QUINOLINONE PYRIMIDINES COMPOSITIONS AS MUTANT-ISOCITRATE DEHYDROGENASE INHIBITORS FORMA THERAPEUTICS, INC. 2016-03-24 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 (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-20190135781-A1 PYRIDINYL QUINOLINONE DERIVATIVES AS MUTANT-ISOCITRATE DEHYDROGENASE INHIBITORS IDH1, IDH2, IDH3A CYP3A4 1728/4885ALDH1A1 239/4885HSD17B10 190/4885
US-20160083365-A1 QUINOLINONE PYRIMIDINES COMPOSITIONS AS MUTANT-ISOCITRATE DEHYDROGENASE INHIBITORS IDH1, IDH3A, IDH3B CYP3A4 3107/4885ALDH1A1 604/4885HSD17B10 524/4885

“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.