SCHEMBL15749490

SCHEMBL15749490

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

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.49
NPC1 O15118 2/20 0.49
RAB9A P51151 2/20 0.49
HTT P42858 1/20 0.48
CYP2C19 P33261 1/20 0.47
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
KDM1A O60341 2/20 0.47
PDE4B Q07343 1/20 0.44
RORC P51449 3/20 0.43
MMP1 P03956 1/20 0.43
MMP3 P08254 1/20 0.43
MMP7 P09237 1/20 0.43
MMP9 P14780 1/20 0.43
MMP13 P45452 1/20 0.43
PDK1 Q15118 1/20 0.43
PDK2 Q15119 1/20 0.43
PDK3 Q15120 1/20 0.43
PDK4 Q16654 1/20 0.43

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
SCHEMBL21370881 1.00 SMN1; SMN2 (0.49) SMN1; SMN2NPC1RAB9AHTTCYP2C19
SCHEMBL15741986 1.00 SMN1; SMN2 (0.49) SMN1; SMN2NPC1RAB9AHTTCYP2C19
SCHEMBL7115377 0.87 SMN1; SMN2 (0.50) SMN1; SMN2NPC1RAB9AHTTCYP2C19
SCHEMBL15742004 0.87 SMN1; SMN2 (0.52) SMN1; SMN2NPC1RAB9AHTTCYP2C19
SCHEMBL15749471 0.87 SMN1; SMN2 (0.52) SMN1; SMN2NPC1RAB9AHTTCYP2C19
SCHEMBL15749479 0.87 SMN1; SMN2 (0.52) SMN1; SMN2NPC1RAB9AHTTCYP2C19
SCHEMBL15741990 0.87 SMN1; SMN2 (0.52) SMN1; SMN2NPC1RAB9AHTTCYP2C19
SCHEMBL15581856 0.80 MEN1 (0.51) SMN1; SMN2NPC1RAB9AHTTCYP2C19
SCHEMBL15534627 0.80 MEN1 (0.51) SMN1; SMN2NPC1RAB9AHTTCYP2C19
SCHEMBL15742236 0.79 MEN1 (0.53) SMN1; SMN2NPC1RAB9AHTTCYP2C19

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
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
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
US-20160016948-A1 AMINOPYRIMIDINE COMPOUNDS AS INHIBITORS OF T790M CONTAINING EGFR MUTANTS GENENTECH, INC. (US) 2016-01-21 US disclosed
WO-2014081718-A1 AMINOPYRIMIDINE COMPOUNDS AS INHIBITORS OF T790M CONTAINING EGFR MUTANTS GENENTECH, INC. (US) 2014-05-30 WO 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.