SCHEMBL18004752

SCHEMBL18004752

N#Cc1[nH]nnc1-c1cc(-c2ccc(Cl)cc2)cc(-c2ccc(Cl)cc2)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERBB2 P04626 1/20 0.41
MCL1 Q07820 1/20 0.38
AHR P35869 1/20 0.35
RPA1 P27694 1/20 0.34
KDM4E B2RXH2 4/20 0.33
ALDH1A1 P00352 4/20 0.33
GAA P10253 2/20 0.33
HPGD P15428 2/20 0.33
LMNA P02545 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
PPARG P37231 1/20 0.33
STAT3 P40763 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
RXFP1 Q9HBX9 1/20 0.33
NR2E3 Q9Y5X4 1/20 0.33
NCOR2 Q9Y618 1/20 0.33
CA12 O43570 1/20 0.33
ALPL P05186 1/20 0.33

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
SCHEMBL18003805 0.97 ERBB2 (0.39) ERBB2MCL1AHRRPA1KDM4E
SCHEMBL18003777 0.93 ERBB2 (0.36) ERBB2MCL1AHRKDM4EALDH1A1
SCHEMBL18003740 0.93 ERBB2 (0.36) ERBB2MCL1AHRKDM4EALDH1A1
SCHEMBL1250229 0.92 ERBB2 (0.47) ERBB2MCL1RPA1KDM4EALDH1A1
SCHEMBL17969183 0.90 ERBB2 (0.49) ERBB2MCL1RPA1KDM4EALDH1A1
SCHEMBL18004337 0.90 USP30 (0.41) ERBB2MCL1KDM4EALDH1A1GAA
SCHEMBL18004016 0.89 RXRA (0.38) ERBB2KDM4EALDH1A1GAAHPGD
SCHEMBL18006159 0.88 ADORA1 (0.38) ERBB2MCL1GRM5
SCHEMBL18003819 0.87 ADORA1 (0.45) ALDH1A1NPSR1GRM5
SCHEMBL18004065 0.86 TRPA1 (0.39) ERBB2KDM1AUSP30

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4219477-A1 CYANOTRIAZOLE COMPOUNDS Otsuka Pharmaceutical Co., Ltd. (JP) 2023-08-02 EP disclosed
US-10626095-B2 Cyanotriazole compounds OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2020-04-21 US disclosed
US-20160229816-A1 CYANOTRIAZOLE COMPOUNDS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2016-08-11 US disclosed
US-20160229816-A1 CYANOTRIAZOLE COMPOUNDS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2016-08-11 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-10626095-B2 Cyanotriazole compounds CS, PC, ACAT1 ERBB2 4040/4885MCL1 2496/4885AHR 3515/4885
US-20160229816-A1 CYANOTRIAZOLE COMPOUNDS CS, PC, ACAT1 ERBB2 4040/4885MCL1 2496/4885AHR 3515/4885

“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.