SCHEMBL20026099

SCHEMBL20026099

CO[C@H](c1ccc(-c2cn[nH]c2)cc1)[C@H](N)CF

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ AKT2 P31751 6/20 0.49
▸ AKT1 P31749 8/20 0.42
▸ PRKD3 O94806 1/20 0.41
▸ PRKCG P05129 1/20 0.41
▸ PRKCB P05771 1/20 0.41
▸ BRAF P15056 1/20 0.41
▸ PRKCA P17252 1/20 0.41
▸ PRKCH P24723 1/20 0.41
▸ PRKCI P41743 1/20 0.41
▸ PRKCE Q02156 1/20 0.41
▸ PRKCQ Q04759 1/20 0.41
▸ PRKCZ Q05513 1/20 0.41
▸ PRKCD Q05655 1/20 0.41
▸ PRKD1 Q15139 1/20 0.41
▸ ROCK1 Q13464 2/20 0.40
▸ MYLK4 Q86YV6 1/20 0.40
▸ ROCK2 O75116 5/20 0.40

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
SCHEMBL19062561 0.81 ATM (0.35) —
SCHEMBL17490437 0.81 ATM (0.35) —
SCHEMBL20026159 0.79 MAPT (0.36) —
SCHEMBL19063237 0.78 PIK3CD (0.35) —
SCHEMBL19062436 0.78 PIK3CD (0.35) —
SCHEMBL20026213 0.78 PIK3CD (0.35) —
SCHEMBL20026100 0.77 ROCK1 (0.43) AKT2AKT1PRKD3PRKCGPRKCB
SCHEMBL13527593 0.77 ROCK1 (0.43) AKT2AKT1PRKD3PRKCGPRKCB
SCHEMBL17490458 0.77 MET (0.30) —
SCHEMBL20026327 0.77 MKNK1 (0.46) —

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-20180094016-A1 Triazole Compounds And Methods Of Making And Using The Same BioVersys AG (CH) 2018-04-05 — — 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-20180094016-A1 Triazole Compounds And Methods Of Making And Using The Same IL33, PROKR1, VIP AKT2 3692/4885AKT1 4046/4885PRKD3 740/4885

“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