SCHEMBL6800518

SCHEMBL6800518

CC(=O)N1CCN(c2nccc(N)n2)CC1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 4/20 0.55
PTPN11 Q06124 1/20 0.51
CASP6 P55212 1/20 0.50
GFER P55789 1/20 0.50
KDR P35968 1/20 0.49
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
SMO Q99835 1/20 0.48
NCF1 P14598 1/20 0.48
MAP4K4 O95819 1/20 0.47
SLC6A7 Q99884 1/20 0.45
GBA1 P04062 2/20 0.45
OGA O60502 1/20 0.44
CLK1 P49759 1/20 0.44
CKS1B P61024 1/20 0.43
SKP1 P63208 1/20 0.43
SKP2 Q13309 1/20 0.43
KDM4E B2RXH2 1/20 0.43
TP53 P04637 1/20 0.43
MAPT P10636 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
SCHEMBL4945954 0.86 SLC6A7 (0.46) ACHESLC6A7GBA1OGAKDM4E
SCHEMBL20425052 0.82 PANK3 (0.60) ACHEPTPN11KDRMEN1KMT2A
SCHEMBL27474490 0.82 ACHE (0.55) ACHEPTPN11CASP6GFERKDR
SCHEMBL19015403 0.81 ACHE (0.61) ACHEPTPN11MAP4K4CKS1BSKP1
SCHEMBL31705889 0.81 ACHE (0.57) ACHEPTPN11KDRMEN1KMT2A
SCHEMBL20804677 0.79 ACHE (0.56) ACHEPTPN11CASP6GFERKDR
SCHEMBL6651379 0.79 ACHE (0.53) ACHEKDRMEN1KMT2ASMO
SCHEMBL4948656 0.79 HRH4 (0.56) ACHEOGA
SCHEMBL29958994 0.79 HRH4 (0.56) ACHEOGA
SCHEMBL1919434 0.79 MEN1 (0.73) MEN1KMT2ASLC6A7KDM4EPKM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-61289089-A None JP disclosed
EP-3181564-B1 AMINOPYRIMIDINE COMPOUNDS AS INHIBITORS OF T790M CONTAINING EGFR MUTANTS HOFFMANN LA ROCHE (CH) 2019-09-18 EP disclosed
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
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-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
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
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
US-20040063720-A1 Tyrosine kinase inhibitors MERCK & CO., INC. 2004-04-01 US disclosed
US-20020137755-A1 Tyrosine kinase inhibitors BILODEAU MARK T (US) 2002-09-26 US disclosed
JP-S61289089-A PRODUCTION OF PYRIDOPYRIMIDINE DERIVATIVE TEIKOKU CHEM IND CORP LTD 1986-12-19 JP 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 (3 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 ACHE 4839/4885PTPN11 112/4885CASP6 1442/4885
US-20020137755-A1 Tyrosine kinase inhibitors ERBB2, TYRO3, TIE1 ACHE 4813/4885PTPN11 324/4885CASP6 961/4885
US-20040063720-A1 Tyrosine kinase inhibitors ERBB2, TYRO3, TIE1 ACHE 4813/4885PTPN11 324/4885CASP6 961/4885

“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.