SCHEMBL15399356

SCHEMBL15399356

Nc1ccc(N2C[C@H]3C[C@@H]2CO3)cc1

nearest known ligand 0.44

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MAP3K12 Q12852 14/20 0.44
MTOR P42345 2/20 0.41
PIK3CA P42336 2/20 0.41
MAP3K13 O43283 1/20 0.39
DLK1 P80370 1/20 0.39
SOS1 Q07889 1/20 0.39
PRKDC P78527 1/20 0.38
PIK3R1 P27986 1/20 0.37

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
SCHEMBL15399039 1.00 MAP3K12 (0.44) MAP3K12MTORPIK3CAMAP3K13DLK1
SCHEMBL19221771 1.00 MAP3K12 (0.44) MAP3K12MTORPIK3CAMAP3K13DLK1
SCHEMBL25889732 0.83 MAP3K12 (0.39) MAP3K12MTORPIK3CAMAP3K13DLK1
SCHEMBL30206581 0.83 MAP3K12 (0.39) MAP3K12MTORPIK3CAMAP3K13DLK1
SCHEMBL25889731 0.83 MAP3K12 (0.39) MAP3K12MTORPIK3CAMAP3K13DLK1
SCHEMBL30206213 0.83 MAP3K12 (0.39) MAP3K12MTORPIK3CAMAP3K13DLK1
SCHEMBL12082429 0.83 SOS1 (0.39) MAP3K12MTORPIK3CASOS1PRKDC
SCHEMBL21256819 0.83 SOS1 (0.39) MAP3K12MTORPIK3CASOS1PRKDC
SCHEMBL21256815 0.83 SOS1 (0.39) MAP3K12MTORPIK3CASOS1PRKDC
SCHEMBL18436556 0.82 PRKDC (0.45) MAP3K12MTORPIK3CAMAP3K13SOS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024107393-A1 TRICYCLIC COMPOUNDS SCHRÖDINGER, INC. (US) 2024-05-23 WO disclosed
WO-2023138362-A1 WEE1 INHIBITOR, PREPARATION THEREFOR, AND USE THEREOF 江苏天士力帝益药业有限公司 2023-07-27 WO disclosed
EP-2867238-B1 PHENYL AMINO PYRIMIDINE BICYCLIC COMPOUNDS AND USES THEREOF YM BIOSCIENCES AUSTRALIA PTY (AU) 2017-08-09 EP disclosed
EP-2867238-B1 PHENYL AMINO PYRIMIDINE BICYCLIC COMPOUNDS AND USES THEREOF YM BIOSCIENCES AUSTRALIA PTY (AU) 2017-08-09 EP disclosed
EP-2867238-A1 PHENYL AMINO PYRIMIDINE BICYCLIC COMPOUNDS AND USES THEREOF YM BioSciences Australia Pty Ltd (AU) 2015-05-06 EP disclosed
US-8809359-B2 Phenyl amino pyrimidine bicyclic compounds and uses thereof YM BIOSCIENCES AUSTRALIA PTY LTD (US) 2014-08-19 US disclosed
WO-2014000032-A1 PHENYL AMINO PYRIMIDINE BICYCLIC COMPOUNDS AND USES THEREOF YM BIOSCIENCES AUSTRALIA PTY LTD (AU) 2014-01-03 WO disclosed
US-20140005161-A1 PHENYL AMINO PYRIMIDINE BICYCLIC COMPOUNDS AND USES THEREOF YM BIOSCIENCES AUSTRALIA PTY LTD (US) 2014-01-02 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-20140005161-A1 PHENYL AMINO PYRIMIDINE BICYCLIC COMPOUNDS AND USES THEREOF JAK3, JAK1, JAK2 MAP3K12 66/4885MTOR 257/4885PIK3CA 318/4885

“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.