SCHEMBL18745797

SCHEMBL18745797

CC(C)c1ccc(N2C[C@H]3C[C@@H]2CO3)nc1

nearest known ligand 0.46

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ MAP3K12 Q12852 13/20 0.46
▸ MAP3K13 O43283 1/20 0.43
▸ DLK1 P80370 1/20 0.43
▸ SOS1 Q07889 2/20 0.41
▸ MAP3K7 O43318 2/20 0.41
▸ ADK P55263 1/20 0.41
▸ ATR Q13535 1/20 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
SCHEMBL18745857 1.00 MAP3K12 (0.46) MAP3K12MAP3K13DLK1SOS1MAP3K7
SCHEMBL25147712 0.84 MAP3K12 (0.50) MAP3K12MAP3K13DLK1SOS1MAP3K7
SCHEMBL15743911 0.84 MAP3K12 (0.50) MAP3K12MAP3K13DLK1SOS1MAP3K7
SCHEMBL15743920 0.84 MAP3K12 (0.50) MAP3K12MAP3K13DLK1SOS1MAP3K7
SCHEMBL18307182 0.79 MAP3K12 (0.48) MAP3K12MAP3K13DLK1MAP3K7ADK
SCHEMBL21672315 0.79 MAP3K12 (0.54) MAP3K12MAP3K13DLK1ADK
SCHEMBL21588292 0.79 ADK (0.49) MAP3K12MAP3K13DLK1MAP3K7ADK
SCHEMBL21588369 0.79 ADK (0.49) MAP3K12MAP3K13DLK1MAP3K7ADK
SCHEMBL17076749 0.79 MAP3K12 (0.54) MAP3K12MAP3K13DLK1ADK
SCHEMBL18307132 0.79 MAP3K12 (0.48) MAP3K12MAP3K13DLK1MAP3K7ADK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230270751-A1 BENZODIAZEPINE DERIVATIVES USEFUL IN TREATING A RESPIRATORY SYNCYTIAL VIRUS INFECTION PFIZER INC. 2023-08-31 — — US disclosed
US-9624229-B2 Pyrimidine-2-amine compounds and their use as inhibitors of JAK kinases RIGEL PHARMACEUTICALS, INC. (US) 2017-04-18 — — 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-20230270751-A1 BENZODIAZEPINE DERIVATIVES USEFUL IN TREATING A RESPIRATORY SYNCYTIAL VIRUS INFECTION CNR1, CNR2, SIGMAR1 MAP3K12 4552/4885MAP3K13 4570/4885DLK1 2805/4885

“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