SCHEMBL18309178

SCHEMBL18309178

CCc1cnn2cc(C#N)ccc12

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP11B2 P19099 3/20 0.40
CYP2A6 P11509 1/20 0.39
EGLN2 Q96KS0 1/20 0.36
HAT1 O14929 5/20 0.35
EP300 Q09472 5/20 0.35
KDM4E B2RXH2 1/20 0.34
PGR P06401 2/20 0.34
CYP19A1 P11511 2/20 0.34
CSNK1A1 P48729 1/20 0.34
CSNK1D P48730 1/20 0.34
MAPK14 Q16539 1/20 0.34
PIK3CD O00329 1/20 0.34
PIK3CA P42336 1/20 0.34
PIK3CB P42338 1/20 0.34
ELANE P08246 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
SCHEMBL19804065 0.83 CSNK1A1 (0.34) CYP11B2HAT1EP300CYP19A1CSNK1A1
SCHEMBL17032988 0.78 CYP11B2 (0.39) CYP11B2CYP2A6EGLN2KDM4ECYP19A1
SCHEMBL20229602 0.78 HAT1 (0.42) HAT1EP300
SCHEMBL17453430 0.76 EIF4A3 (0.43) HAT1EP300KDM4E
SCHEMBL23425908 0.76 EPHB3 (0.42) KDM4ECSNK1A1CSNK1DMAPK14
SCHEMBL17452697 0.75 HAT1 (0.48) HAT1EP300
SCHEMBL24566030 0.75 CA12 (0.38) CYP11B2PGRCYP19A1CSNK1A1CSNK1D
SCHEMBL25099101 0.75 EPHB3 (0.43) KDM4E
SCHEMBL12728992 0.75 DRD4 (0.36)
SCHEMBL23133667 0.75 KCNH2 (0.37) KDM4EMAPK14

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160362432-A1 PHOSPHONATE COMPOUNDS FOR TREATMENT OF COMPLEMENT MEDIATED DISORDERS ACHILLION PHARMACEUTICALS, INC. (US) 2016-12-15 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 (1 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-20160362432-A1 PHOSPHONATE COMPOUNDS FOR TREATMENT OF COMPLEMENT MEDIATED DISORDERS CFD, CFH, TFPI CYP11B2 3248/4885CYP2A6 4003/4885EGLN2 3146/4885

“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.