SCHEMBL15907144

SCHEMBL15907144

CC(C)(C)n1nnc2cc(F)ccc21

nearest known ligand 0.58

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HCAR3 P49019 1/20 0.58
KCNMA1 Q12791 2/20 0.41
ALDH1A1 P00352 2/20 0.37
PKM P14618 1/20 0.37
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
OPRM1 P35372 1/20 0.36
OPRD1 P41143 1/20 0.36
HTT P42858 1/20 0.36
KDM4E B2RXH2 1/20 0.35
AR P10275 1/20 0.35
GLA P06280 1/20 0.34
POLB P06746 1/20 0.34
MAPT P10636 1/20 0.34
GRM2 Q14416 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
SCHEMBL19848595 0.86 HCAR3 (0.46) HCAR3KMT2AKDM4EARGRM2
SCHEMBL19911472 0.80 HCAR3 (0.59) HCAR3KCNMA1ALDH1A1PKMMEN1
SCHEMBL19848185 0.79 PKM (0.61) HCAR3KCNMA1ALDH1A1PKMMEN1
SCHEMBL21669989 0.79 HCAR3 (0.58) HCAR3KCNMA1ALDH1A1PKMMEN1
SCHEMBL21445739 0.79 HCAR3 (0.58) HCAR3ALDH1A1PKMMEN1KMT2A
SCHEMBL19911588 0.79 HCAR3 (0.58) HCAR3ALDH1A1PKMMEN1KMT2A
SCHEMBL19911502 0.76 HCAR3 (0.55) HCAR3ALDH1A1MEN1KMT2AKDM4E
SCHEMBL18323574 0.76 HCAR3 (0.54) HCAR3KCNMA1ALDH1A1MEN1KMT2A
SCHEMBL31349698 0.75 HCAR3 (0.54) HCAR3ALDH1A1KMT2AHTTKDM4E
SCHEMBL19915949 0.75 HCAR3 (0.54) HCAR3ALDH1A1KMT2AHTTKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10756394-B2 Nonaqueous electrolyte and nonaqueous secondary battery ASAHI KASEI KABUSHIKI KAISHA (JP) 2020-08-25 US disclosed
EP-3467930-B1 NONAQUEOUS ELECTROLYTE AND NONAQUEOUS SECONDARY BATTERY ASAHI CHEMICAL IND (JP) 2020-05-13 EP disclosed
EP-3467930-A1 NONAQUEOUS ELECTROLYTE AND NONAQUEOUS SECONDARY BATTERY ASAHI KASEI KABUSHIKI KAISHA (JP) 2019-04-10 EP disclosed
US-20180062213-A1 Nonaqueous Electrolyte and Nonaqueous Secondary Battery ASAHI KASEI KABUSHIKI KAISHA (JP) 2018-03-01 US disclosed
US-20180062213-A1 Nonaqueous Electrolyte and Nonaqueous Secondary Battery ASAHI KASEI KABUSHIKI KAISHA (JP) 2018-03-01 US disclosed
EP-3279997-A1 NONAQUEOUS ELECTROLYTE AND NONAQUEOUS SECONDARY BATTERY Asahi Kasei Kabushiki Kaisha (JP) 2018-02-07 EP disclosed
US-9522910-B2 Protein kinase inhibitors (variants), use thereof in treating oncological diseases and a pharmaceutical composition based thereon Obshchestvo s ogranichennoy otvetstvennostyou “Fusion Pharma” (RU) 2016-12-20 US disclosed
US-20140213592-A1 Protein Kinase Inhibitors (Variants), Use Thereof in Treating Oncological Diseases and a Pharmaceutical Composition Based Thereon OBSHCHESTVO S OGRANICHENNOY OTVETSTVENNOSTYOU "FUSION PHARMA" (RU) 2014-07-31 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 (3 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-10756394-B2 Nonaqueous electrolyte and nonaqueous secondary battery BPTF, BRD4, KCNN2 HCAR3 4636/4885KCNMA1 525/4885ALDH1A1 3497/4885
US-20180062213-A1 Nonaqueous Electrolyte and Nonaqueous Secondary Battery BPTF, BRD4, KCNN2 HCAR3 4636/4885KCNMA1 525/4885ALDH1A1 3497/4885
US-20140213592-A1 Protein Kinase Inhibitors (Variants), Use Thereof in Treating Oncological Diseases and a Pharmaceutical Composition Based Thereon ABL1, ABL2, MAP3K6 HCAR3 4451/4885KCNMA1 1606/4885ALDH1A1 3414/4885

“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.