SCHEMBL18152765

SCHEMBL18152765

Cc1nc(-c2ccccc2)n(Cc2ccccc2)c1C

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.59
NPSR1 Q6W5P4 3/20 0.59
TSHR P16473 1/20 0.59
ALDH1A1 P00352 12/20 0.58
PDE6D O43924 1/20 0.58
ALDH2 P05091 1/20 0.58
ALDH3A1 P30838 1/20 0.58
BRD4 O60885 2/20 0.55
H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16 P62805 2/20 0.55
HPGD P15428 5/20 0.54
LMNA P02545 4/20 0.54
SMN1; SMN2 Q16637 2/20 0.54
RECQL P46063 1/20 0.54
RAB9A P51151 1/20 0.54
TP53 P04637 4/20 0.53
MAPK1 P28482 1/20 0.53
MAPT P10636 2/20 0.49
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
GAA P10253 2/20 0.49

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
SCHEMBL28207681 0.87 TP53 (0.52) KDM4ENPSR1TSHRALDH1A1PDE6D
SCHEMBL11523468 0.84 TSHR (0.47) KDM4ENPSR1TSHRALDH1A1PDE6D
SCHEMBL13099667 0.83 CA1 (0.50) KDM4ENPSR1TSHRALDH1A1PDE6D
SCHEMBL11151151 0.81 ALDH1A1 (0.59) KDM4ENPSR1TSHRALDH1A1PDE6D
SCHEMBL18152856 0.81 BRD4 (0.51) KDM4ENPSR1TSHRALDH1A1BRD4
Hydrochloric Acid SCHEMBL27634345 0.80 ALDH1A1 (0.58) KDM4ENPSR1TSHRALDH1A1BRD4
SCHEMBL27398337 0.80 KDM4E (0.56) KDM4ENPSR1TSHRALDH1A1PDE6D
SCHEMBL11099710 0.77 ALDH1A1 (0.49) KDM4ENPSR1TSHRALDH1A1PDE6D
SCHEMBL10836880 0.76 TSHR (0.51) KDM4ENPSR1TSHRALDH1A1BRD4
Hydrochloric Acid SCHEMBL10837623 0.76 MEN1 (0.55) KDM4ENPSR1TSHRALDH1A1PDE6D

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12606666-B2 Imidazoles and imidazolium cations with exceptional alkaline stability CORNELL UNIVERSITY (US) 2026-04-21 US disclosed
EP-4108691-A1 IMIDAZOLIUM CATIONS WITH EXCEPTIONAL ALKALINE STABILITY Cornell University (US) 2022-12-28 EP disclosed
EP-4108691-A1 IMIDAZOLIUM CATIONS WITH EXCEPTIONAL ALKALINE STABILITY Cornell University (US) 2022-12-28 EP disclosed
EP-3283535-B1 POLYMERS COMPRISING IMIDAZOLIUM CATIONS WITH EXCEPTIONAL ALKALINE STABILITY UNIV CORNELL (US) 2022-08-10 EP disclosed
US-20220127413-A1 IMIDAZOLES AND IMIDAZOLIUM CATIONS WITH EXCEPTIONAL ALKALINE STABILITY CORNELL UNIVERSITY (US) 2022-04-28 US disclosed
US-11242432-B2 Imidazoles and imidazolium cations with exceptional alkaline stability CORNELL UNIVERSITY (US) 2022-02-08 US disclosed
US-11242432-B2 Imidazoles and imidazolium cations with exceptional alkaline stability CORNELL UNIVERSITY (US) 2022-02-08 US disclosed
CN-108026213-B Imidazole and imidazolium cations with special base stability 康奈尔大学 2021-11-02 CN disclosed
US-20190047963-A1 IMIDAZOLES AND IMIDAZOLIUM CATIONS WITH EXCEPTIONAL ALKALINE STABILITY CORNELL UNIVERSITY (US) 2019-02-14 US disclosed
US-20190047963-A1 IMIDAZOLES AND IMIDAZOLIUM CATIONS WITH EXCEPTIONAL ALKALINE STABILITY CORNELL UNIVERSITY (US) 2019-02-14 US disclosed
CN-108026213-A Imidazoles and glyoxaline cation with special alkaline stability 康奈尔大学 2018-05-11 CN disclosed
EP-3283535-A2 IMIDAZOLES AND IMIDAZOLIUM CATIONS WITH EXCEPTIONAL ALKALINE STABILITY Cornell University (US) 2018-02-21 EP disclosed
WO-2016168468-A2 IMIDAZOLES AND IMIDAZOLIUM CATIONS WITH EXCEPTIONAL ALKALINE STABILITY CORNELL UNIVERSITY (US) 2016-10-20 WO disclosed
WO-2016168468-A2 IMIDAZOLES AND IMIDAZOLIUM CATIONS WITH EXCEPTIONAL ALKALINE STABILITY CORNELL UNIVERSITY (US) 2016-10-20 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 (4 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-20220127413-A1 IMIDAZOLES AND IMIDAZOLIUM CATIONS WITH EXCEPTIONAL ALKALINE STABILITY ALPI, ITPA, ITPR2 KDM4E 1492/4885NPSR1 3438/4885TSHR 4548/4885
US-20190047963-A1 IMIDAZOLES AND IMIDAZOLIUM CATIONS WITH EXCEPTIONAL ALKALINE STABILITY ALPI, ITPA, ITPR2 KDM4E 1492/4885NPSR1 3438/4885TSHR 4548/4885
US-11242432-B2 Imidazoles and imidazolium cations with exceptional alkaline stability ALPI, ITPA, ITPR2 KDM4E 1492/4885NPSR1 3438/4885TSHR 4548/4885
US-12606666-B2 Imidazoles and imidazolium cations with exceptional alkaline stability SCO2, RCC1, SMC2 KDM4E 1633/4885NPSR1 3925/4885TSHR 1886/4885

“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.