SCHEMBL20333976

SCHEMBL20333976

CC(C)(C)c1cncc(-c2cccc(CC(C)(C)c3cncc(-c4ccccc4F)n3)c2Cl)n1

nearest known ligand 0.33

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ CNR2 P34972 1/20 0.33
▸ CYP11B1 P15538 3/20 0.32
▸ CYP11B2 P19099 1/20 0.32
▸ NPC1 O15118 2/20 0.32
▸ MAPK3 P27361 1/20 0.31
▸ MAPK1 P28482 1/20 0.31
▸ PTPN11 Q06124 1/20 0.31
▸ GRM2 Q14416 1/20 0.30
▸ IDO1 P14902 1/20 0.30
▸ RAB9A P51151 1/20 0.30
▸ CDK2 P24941 1/20 0.30
▸ PDCD1 Q15116 1/20 0.30
▸ CD274 Q9NZQ7 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
SCHEMBL20330307 0.83 NPC1 (0.44) CYP11B1CYP11B2NPC1GRM2IDO1
SCHEMBL20330306 0.72 IDO1 (0.42) CNR2NPC1IDO1RAB9A
SCHEMBL18125244 0.64 NPC1 (0.47) CYP11B1CYP11B2NPC1IDO1RAB9A
SCHEMBL13597321 0.62 CYP11B2 (0.44) CYP11B1CYP11B2NPC1RAB9A
SCHEMBL25054657 0.61 GPR3 (0.33) NPC1PTPN11RAB9A
SCHEMBL16702483 0.61 ALOX5AP (0.58) NPC1IDO1RAB9A
SCHEMBL19625360 0.60 SCN10A (0.46) CYP11B1CYP11B2NPC1RAB9A
SCHEMBL24848832 0.60 KCNA5 (0.36) CYP11B1CYP11B2
SCHEMBL31499180 0.58 PDCD1 (0.39) IDO1PDCD1CD274
SCHEMBL31396710 0.58 PDCD1 (0.42) RAB9APDCD1CD274

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-20180179185-A1 AMINO COMPOUNDS FOR TREATMENT OF IMMUNE AND INFLAMMATORY DISORDERS ACHILLION PHARMACEUTICALS, INC. (US) 2018-06-28 — — 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-20180179185-A1 AMINO COMPOUNDS FOR TREATMENT OF IMMUNE AND INFLAMMATORY DISORDERS CFD, TFPI, CFH CNR2 3567/4885CYP11B1 2486/4885CYP11B2 2444/4885

“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.

Send feedback