SCHEMBL25668430

SCHEMBL25668430

CNc1ncnc(N2CCC[C@@H](C)C2)c1I

nearest known ligand 0.53

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ JAK3 P52333 2/20 0.53
▸ LRRK2 Q5S007 11/20 0.47
▸ NPC1 O15118 3/20 0.45
▸ RAB9A P51151 2/20 0.45
▸ MAPT P10636 1/20 0.45
▸ GRM4 Q14833 2/20 0.44
▸ PRKDC P78527 1/20 0.44
▸ TP53 P04637 1/20 0.43
▸ KDM4E B2RXH2 1/20 0.43
▸ ATM Q13315 1/20 0.43
▸ RECQL P46063 1/20 0.41
▸ NPSR1 Q6W5P4 1/20 0.41

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
SCHEMBL20862666 0.69 JAK3 (0.55) JAK3LRRK2NPC1RAB9AMAPT
SCHEMBL20862642 0.69 JAK3 (0.55) JAK3LRRK2NPC1RAB9AMAPT
SCHEMBL20862485 0.69 JAK3 (1.00) JAK3LRRK2
SCHEMBL3954391 0.69 JAK3 (1.00) JAK3LRRK2
SCHEMBL18967632 0.68 KHK (0.71) JAK3LRRK2
SCHEMBL27366298 0.68 JAK3 (0.50) JAK3LRRK2NPC1RAB9AMAPT
SCHEMBL27741347 0.67 HTT (0.42) JAK3LRRK2NPC1MAPTTP53
SCHEMBL19725048 0.67 JAK3 (0.51) JAK3LRRK2NPC1RAB9AMAPT
SCHEMBL19826894 0.66 LRRK2 (0.53) JAK3LRRK2NPC1RAB9AMAPT
SCHEMBL24371998 0.66 ADRA1A (0.52) JAK3LRRK2NPC1RAB9AMAPT

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-20230174511-A1 PYRIMIDINYL TYROSINE KINASE INHIBITORS VIRACTA THERAPEUTICS, INC. (US) 2023-06-08 — — 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-20230174511-A1 PYRIMIDINYL TYROSINE KINASE INHIBITORS ABL1, BTK, ABL2 JAK3 14/4885LRRK2 440/4885NPC1 4104/4885

“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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