SCHEMBL17438367

SCHEMBL17438367

CO[C@@H]1CCN(C(=O)OCc2ccccc2)C[C@H]1O

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.60
NPC1 O15118 2/20 0.60
RAB9A P51151 2/20 0.60
CYP2C19 P33261 1/20 0.56
HTT P42858 1/20 0.54
PDE4B Q07343 1/20 0.51
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
NPSR1 Q6W5P4 1/20 0.50
GRIN2B Q13224 6/20 0.48
CYP2D6 P10635 2/20 0.47
CYP2C9 P11712 2/20 0.47
CYP3A4 P08684 1/20 0.47
CTSK P43235 1/20 0.46
USP30 Q70CQ3 1/20 0.45
MMP1 P03956 1/20 0.45
MMP3 P08254 1/20 0.45
MMP7 P09237 1/20 0.45
MMP9 P14780 1/20 0.45
MMP13 P45452 1/20 0.45

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
SCHEMBL17438365 1.00 SMN1; SMN2 (0.60) SMN1; SMN2NPC1RAB9ACYP2C19HTT
SCHEMBL23592804 1.00 SMN1; SMN2 (0.60) SMN1; SMN2NPC1RAB9ACYP2C19HTT
SCHEMBL15749565 1.00 SMN1; SMN2 (0.60) SMN1; SMN2NPC1RAB9ACYP2C19HTT
SCHEMBL16903397 0.93 SMN1; SMN2 (0.55) SMN1; SMN2NPC1RAB9ACYP2C19HTT
SCHEMBL19787792 0.91 SMN1; SMN2 (0.64) SMN1; SMN2NPC1RAB9ACYP2C19HTT
SCHEMBL16903389 0.91 SMN1; SMN2 (0.64) SMN1; SMN2NPC1RAB9ACYP2C19HTT
SCHEMBL16903390 0.91 SMN1; SMN2 (0.64) SMN1; SMN2NPC1RAB9ACYP2C19HTT
SCHEMBL15743062 0.90 SMN1; SMN2 (0.59) SMN1; SMN2NPC1RAB9ACYP2C19HTT
SCHEMBL15743060 0.90 SMN1; SMN2 (0.59) SMN1; SMN2NPC1RAB9ACYP2C19HTT
SCHEMBL15743061 0.90 SMN1; SMN2 (0.59) SMN1; SMN2NPC1RAB9ACYP2C19HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3181564-B1 AMINOPYRIMIDINE COMPOUNDS AS INHIBITORS OF T790M CONTAINING EGFR MUTANTS HOFFMANN LA ROCHE (CH) 2019-09-18 EP disclosed
US-9890152-B2 Aminopyrimidine compounds as inhibitors of T790M containing EGFR mutants GENENTECH, INC. (US) 2018-02-13 US disclosed
EP-2922851-B1 AMINOPYRIMIDINE COMPOUNDS AS INHIBITORS OF T790M CONTAINING EGFR MUTANTS GENENTECH INC (US) 2017-07-26 EP disclosed
EP-3181564-A1 AMINOPYRIMIDINE COMPOUNDS AS INHIBITORS OF T790M CONTAINING EGFR MUTANTS Genentech, Inc. (US) 2017-06-21 EP disclosed
US-20160016948-A1 AMINOPYRIMIDINE COMPOUNDS AS INHIBITORS OF T790M CONTAINING EGFR MUTANTS GENENTECH, INC. (US) 2016-01-21 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-20160016948-A1 AMINOPYRIMIDINE COMPOUNDS AS INHIBITORS OF T790M CONTAINING EGFR MUTANTS EGFR, ERBB2, ERBB3 SMN1; SMN2 4396/4885NPC1 3318/4885RAB9A 1285/4885

“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.