SCHEMBL20186726

SCHEMBL20186726

COC(=O)c1cc(Cl)nc(C2CC2)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.45
KDM4E B2RXH2 3/20 0.45
TDP1 Q9NUW8 2/20 0.43
HSD17B10 Q99714 1/20 0.42
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA7 P43166 1/20 0.41
CA9 Q16790 1/20 0.41
CA14 Q9ULX7 1/20 0.41
TAS1R3 Q7RTX0 1/20 0.40
TAS1R1 Q7RTX1 1/20 0.40
TAS1R2 Q8TE23 1/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
LMNA P02545 2/20 0.40
POLB P06746 1/20 0.40
GAA P10253 1/20 0.40
NFKB1 P19838 1/20 0.40
XDH P47989 1/20 0.40
GFER P55789 1/20 0.40

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
SCHEMBL15535176 0.94 TDP1 (0.47) ALDH1A1KDM4ETDP1HSD17B10CA12
SCHEMBL15534623 0.85 TDP1 (0.40) ALDH1A1KDM4ETDP1HSD17B10CA12
SCHEMBL21200017 0.83 KDM4E (0.46) ALDH1A1KDM4ETDP1HSD17B10CA12
SCHEMBL29866777 0.83 KDM4E (0.46) ALDH1A1KDM4ETDP1HSD17B10CA12
SCHEMBL26918366 0.82 POLB (0.36) ALDH1A1KDM4ETDP1TAS1R3TAS1R1
SCHEMBL31507556 0.81 KDM4E (0.39) ALDH1A1KDM4ETDP1HSD17B10TAS1R3
SCHEMBL4600423 0.81 ALDH1A1 (0.67) ALDH1A1KDM4ETDP1HSD17B10CA12
SCHEMBL26685192 0.81 KDM4E (0.39) ALDH1A1KDM4ETDP1HSD17B10TAS1R3
SCHEMBL569249 0.81 ALDH1A1 (0.59) ALDH1A1KDM4ETDP1CA12CA1
SCHEMBL21200353 0.80 KDM4E (0.47) ALDH1A1KDM4ETDP1HSD17B10CA12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114364670-A Substituted benzyl-triazoles for Cbl-b inhibition and further uses thereof 纽力克斯治疗公司 2022-04-15 CN disclosed
CN-114206855-A Cyanocyclobutyl compounds for Cbl-b inhibition and uses thereof 紐力克斯治疗公司 2022-03-18 CN disclosed
EP-3548495-B1 PYRAZOLOPYRIMIDINE DERIVATIVES AS CAM KINASE INHIBITORS GILEAD SCIENCES INC (US) 2021-01-27 EP disclosed
EP-3548495-A1 PYRAZOLOPYRIMIDINE DERIVATIVES AS CAM KINASE INHIBITORS Gilead Sciences, Inc. (US) 2019-10-09 EP disclosed
US-10100058-B2 Fused heterocyclic compounds as CaM kinase inhibitors GILEAD SCIENCES, INC. (US) 2018-10-16 US disclosed
WO-2018102384-A1 PYRAZOLOPYRIMIDINE DERIVATIVES AS CAM KINASE INHIBITORS GILEAD SCIENCES, INC. (US) 2018-06-07 WO disclosed
US-20180148457-A1 FUSED HETEROCYCLIC COMPOUNDS AS CAM KINASE INHIBITORS GILEAD SCIENCES, INC. 2018-05-31 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 (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-10100058-B2 Fused heterocyclic compounds as CaM kinase inhibitors CAMK1, CAMKK1, CAMK1D ALDH1A1 1512/4885KDM4E 2635/4885TDP1 2572/4885
US-20180148457-A1 FUSED HETEROCYCLIC COMPOUNDS AS CAM KINASE INHIBITORS CAMK1, CAMKK1, CAMK1D ALDH1A1 1512/4885KDM4E 2635/4885TDP1 2572/4885

“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.