SCHEMBL18005995

SCHEMBL18005995

N#Cc1[nH]nnc1-c1ccc(N(c2ccccc2)c2ccccc2)cc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 1/20 0.37
ERBB2 P04626 2/20 0.35
MAPT P10636 5/20 0.34
ALDH1A1 P00352 2/20 0.34
KDM4E B2RXH2 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
LMNA P02545 1/20 0.34
TSHR P16473 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
CRHBP P24387 1/20 0.34
CRHR2 Q13324 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
ADORA1 P30542 5/20 0.33
ADORA2A P29274 4/20 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
SCHEMBL18003968 0.85 ADORA1 (0.45) ERBB2ALDH1A1KDM4ECYP1A2CYP2C9
SCHEMBL18004136 0.85 ADORA1 (0.45) ERBB2ALDH1A1KDM4ECYP1A2CYP2C9
SCHEMBL12386160 0.85 ERBB2 (0.46) ERBB2ALDH1A1CYP1A2CYP2C9LMNA
SCHEMBL18005932 0.82 MAPT (0.40) MAPTALDH1A1KDM4ECYP3A4TDP1
SCHEMBL18004145 0.81 ERBB2 (0.40) ERBB2ALDH1A1KDM4ELMNAADORA1
SCHEMBL18006124 0.80 CNR2 (0.38) ERBB2L3MBTL1TSHRSMN1; SMN2ADORA1
SCHEMBL4099340 0.79 KMT2A (0.37) ERBB2MAPTALDH1A1KDM4ECYP1A2
SCHEMBL17969160 0.79 ERBB2 (0.55) PTGDR2ERBB2ALDH1A1SMN1; SMN2ADORA1
SCHEMBL4099342 0.79 KMT2A (0.37) ERBB2MAPTALDH1A1KDM4ECYP1A2
SCHEMBL18005953 0.78 ERBB2 (0.54) PTGDR2ERBB2ALDH1A1SMN1; SMN2ADORA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 PTGDR2 4574/4885ERBB2 4040/4885MAPT 2196/4885
US-20160229816-A1 CYANOTRIAZOLE COMPOUNDS CS, PC, ACAT1 PTGDR2 4574/4885ERBB2 4040/4885MAPT 2196/4885

“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.