SCHEMBL20523720

SCHEMBL20523720

CCOc1cc(Br)cc(N2C(=O)c3ccccc3C2=O)c1C

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.43
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
KDM4E B2RXH2 2/20 0.41
ALDH1A1 P00352 2/20 0.41
HTT P42858 1/20 0.41
CASP6 P55212 1/20 0.41
PDCD1 Q15116 1/20 0.38
CD274 Q9NZQ7 1/20 0.38
NR1H3 Q13133 2/20 0.38
PDE5A O76074 1/20 0.38
PTPRC P08575 1/20 0.38
SCN2A Q99250 1/20 0.38
NR1H2 P55055 1/20 0.38
TNF P01375 1/20 0.38
GRM5 P41594 1/20 0.38

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
SCHEMBL20523449 0.85 NR1H3 (0.49) KMT2AKDM4EALDH1A1HTTCASP6
SCHEMBL11872977 0.76 NPC1 (0.59) KMT2ANPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL20523677 0.76 TYMS (0.42) KMT2ANR1H3SCN2ANR1H2
SCHEMBL10915755 0.72 CYP3A4 (0.56) KMT2ANPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL29895241 0.72 CYP3A4 (0.56) KMT2ANPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL20931235 0.70 RPS6KA2 (0.45) KMT2ANPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL9059116 0.70 PPARG (0.53) KMT2ARAB9AKDM4EALDH1A1NR1H3
SCHEMBL4619154 0.68 RECQL (0.58) KMT2AKDM4EALDH1A1HTTCASP6
SCHEMBL27826025 0.68 LMNA (0.55) SMN1; SMN2ALDH1A1HTTNR1H3SCN2A
SCHEMBL20523587 0.67 HSD17B10 (0.46) KDM4EALDH1A1

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-11135209-B2 Compositions and methods for inhibiting protein kinases UNIVERSITY OF HOUSTON SYSTEM (US) 2021-10-05 US disclosed
EP-3600307-B1 COMPOSITIONS FOR USE IN METHODS OF INHIBITING PROTEIN KINASES UNIV HOUSTON SYSTEM (US) 2021-05-05 EP disclosed
EP-3600307-A1 COMPOSITIONS FOR USE IN METHODS OF INHIBITING PROTEIN KINASES University of Houston System (US) 2020-02-05 EP disclosed
US-20200030303-A1 COMPOSITIONS AND METHODS FOR INHIBITING PROTEIN KINASES UNIVERSITY OF HOUSTON SYSTEM (US) 2020-01-30 US disclosed
WO-2018183633-A1 COMPOSITIONS FOR USE IN METHODS OF INHIBITING PROTEIN KINASES UNIVERSITY OF HOUSTON SYSTEM (US) 2018-10-04 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-11135209-B2 Compositions and methods for inhibiting protein kinases RIPK2, RIPK1, NOD2 KMT2A 3666/4885NPC1 4043/4885RAB9A 3545/4885
US-20200030303-A1 COMPOSITIONS AND METHODS FOR INHIBITING PROTEIN KINASES RIPK2, RIPK1, NOD2 KMT2A 3666/4885NPC1 4043/4885RAB9A 3545/4885

“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.