SCHEMBL18004642

SCHEMBL18004642

Cc1cc(-c2cncc(C(F)(F)F)c2)cc(-c2nn[nH]c2C#N)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B2 P19099 6/20 0.43
CYP11B1 P15538 4/20 0.43
NOTUM Q6P988 1/20 0.35
PRMT5 O14744 1/20 0.34
WDR77 Q9BQA1 1/20 0.34
CYP1A2 P05177 1/20 0.34
METAP2 P50579 1/20 0.34
PARP10 Q53GL7 1/20 0.33
PARP11 Q9NR21 1/20 0.33
CTSS P25774 1/20 0.32
CTSK P43235 1/20 0.32
CHRNB2 P17787 2/20 0.31
CHRNB4 P30926 2/20 0.31
CHRNA3 P32297 2/20 0.31
CHRNB1 P11230 1/20 0.31
CHRNB3 Q05901 1/20 0.31
LGMN Q99538 1/20 0.31
GRIN1 Q05586 1/20 0.30
GRIN2B Q13224 1/20 0.30
GPR55 Q9Y2T6 1/20 0.30

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
SCHEMBL18004658 0.93 CYP11B2 (0.46) CYP11B2CYP11B1PRMT5WDR77CYP1A2
SCHEMBL18004659 0.91 CYP11B2 (0.43) CYP11B2CYP11B1PRMT5WDR77CYP1A2
SCHEMBL26070226 0.89 NOTUM (0.44) NOTUMCYP1A2METAP2CTSSCTSK
SCHEMBL18004215 0.89 NOTUM (0.41) NOTUMCYP1A2METAP2CTSSCTSK
SCHEMBL18004638 0.89 CYP11B2 (0.41) CYP11B2CYP11B1PRMT5WDR77CYP1A2
SCHEMBL18005609 0.87 CYP11B2 (0.41) CYP11B2CYP11B1PRMT5WDR77CYP1A2
SCHEMBL18004678 0.85 CYP11B2 (0.52) CYP11B2CYP11B1PRMT5WDR77CYP1A2
SCHEMBL17969146 0.85 NOTUM (0.38) NOTUMCTSSCTSKGRIN1GRIN2B
SCHEMBL18004656 0.85 CYP11B2 (0.49) CYP11B2CYP11B1PRMT5WDR77CYP1A2
SCHEMBL18003771 0.84 KIF11 (0.41) NOTUMCYP1A2CTSSCTSKKCNH2

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 CYP11B2 227/4885CYP11B1 126/4885NOTUM 1379/4885
US-20160229816-A1 CYANOTRIAZOLE COMPOUNDS CS, PC, ACAT1 CYP11B2 227/4885CYP11B1 126/4885NOTUM 1379/4885

“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.