SCHEMBL17299134

SCHEMBL17299134

C=Cc1cc2cc(C(C)N)ccc2cn1

nearest known ligand 0.35

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ AKT1 P31749 1/20 0.35
▸ UGT2B7 P16662 1/20 0.32
▸ ADRB2 P07550 1/20 0.32
▸ BTK Q06187 1/20 0.31
▸ ROCK1 Q13464 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
SCHEMBL15447209 1.00 AKT1 (0.35) AKT1UGT2B7ADRB2BTKROCK1
SCHEMBL9905543 0.86 UGT2B7 (0.47) AKT1UGT2B7BTK
SCHEMBL9905545 0.86 UGT2B7 (0.47) AKT1UGT2B7BTK
SCHEMBL19479451 0.81 AKT1 (0.30) AKT1
SCHEMBL18562292 0.76 AKR1C3 (0.32) —
SCHEMBL15448418 0.76 ADRB2 (0.42) AKT1UGT2B7ADRB2ROCK1
SCHEMBL16837784 0.74 RIOK2 (0.33) —
SCHEMBL18828019 0.74 — —
SCHEMBL14652449 0.71 CYP1A2 (0.43) AKT1
SCHEMBL2338713 0.70 CYP1A2 (0.48) AKT1BTK

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
US-9512175-B2 Macrocyclic inhibitors of flaviviridae viruses GILEAD SCIENCES, INC. (US) 2016-12-06 — — US disclosed
US-9512175-B2 Macrocyclic inhibitors of flaviviridae viruses GILEAD SCIENCES, INC. (US) 2016-12-06 — — US disclosed
US-20150344521-A1 MACROCYCLIC INHIBITORS OF FLAVIVIRIDAE VIRUSES CYPRALIS LIMITED (GB) 2015-12-03 — — US disclosed
US-20150344521-A1 MACROCYCLIC INHIBITORS OF FLAVIVIRIDAE VIRUSES CYPRALIS LIMITED (GB) 2015-12-03 — — 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-20150344521-A1 MACROCYCLIC INHIBITORS OF FLAVIVIRIDAE VIRUSES HAVCR2, ZC3HAV1, HCCS AKT1 3910/4885UGT2B7 74/4885ADRB2 4752/4885

“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.

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