SCHEMBL9013534

SCHEMBL9013534

CNc1cc(C)nc(-c2ccccc2)n1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCG2 Q9UNQ0 15/20 0.70
MEN1 O00255 1/20 0.64
NPC1 O15118 1/20 0.64
GBA1 P04062 1/20 0.64
RAB9A P51151 1/20 0.64
KMT2A Q03164 1/20 0.64
FFAR1 O14842 1/20 0.59
MAP4K4 O95819 1/20 0.59
ABL1 P00519 1/20 0.59
LCK P06239 1/20 0.59
FYN P06241 1/20 0.59
IGF1R P08069 1/20 0.59
LTK P29376 1/20 0.59
KDR P35968 1/20 0.59
MAP2K2 P36507 1/20 0.59
MAPK8 P45983 1/20 0.59
MAPK9 P45984 1/20 0.59
CLK2 P49760 1/20 0.59
GSK3A P49840 1/20 0.59
GSK3B P49841 1/20 0.59

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
SCHEMBL9223997 0.88 ABCG2 (0.62) ABCG2MEN1NPC1GBA1RAB9A
SCHEMBL12963169 0.85 NPC1 (0.59) ABCG2MEN1NPC1GBA1RAB9A
SCHEMBL11516034 0.84 ABCG2 (0.58) ABCG2MEN1NPC1GBA1RAB9A
SCHEMBL7522515 0.84 ABCG2 (0.68) ABCG2MEN1NPC1GBA1RAB9A
SCHEMBL24227649 0.83 ADORA1 (0.63) ABCG2MEN1KMT2ALMNAABCB1
SCHEMBL387105 0.82 SMN1; SMN2 (0.73) ABCG2MEN1NPC1GBA1RAB9A
SCHEMBL21977560 0.82 ABCG2 (1.00) ABCG2MEN1NPC1GBA1RAB9A
SCHEMBL13823658 0.82 NPC1 (0.51) ABCG2MEN1NPC1GBA1RAB9A
SCHEMBL7913550 0.82 LMNA (0.73) ABCG2MEN1NPC1GBA1RAB9A
SCHEMBL390297 0.82 ABCG2 (0.62) ABCG2MEN1NPC1GBA1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9321735-B2 Insecticidal triazines and pyrimidines Vestaron Corporation (US) 2016-04-26 US disclosed
US-8785630-B2 Insecticidal triazines and pyrimidines Vestaron Corporation (US) 2014-07-22 US disclosed
US-20130267705-A1 Insecticidal Triazines and Pyrimidines Vestaron Corporation (US) 2013-10-10 US disclosed
US-20130150365-A1 Insecticidal Triazines and Pyrimidines Vestaron Corporation (US) 2013-06-13 US disclosed
US-8389718-B2 Insecticidal triazines and pyrimidines Vestaron Corporation (US) 2013-03-05 US disclosed
US-20120022066-A1 Insecticidal Triazines and Pyrimidines Vestaron Corporation (US) 2012-01-26 US disclosed
US-5589477-A LEARNING ENHANCEMENT, CNS NIPPON SHINYAKU COMPANY, LIMITED (JP) 1996-12-31 US disclosed
EP-0555478-A1 PYRIMIDINE DERIVATIVE AND MEDICINE NIPPON SHINYAKU COMPANY, LIMITED (JP) 1993-08-18 EP disclosed
CN-1059908-A Pyrimidine derivatives and medicine thereof NIPPON SHINYAKU CO LTD (JP) 1992-04-01 CN 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-20130150365-A1 Insecticidal Triazines and Pyrimidines TYMS, TYMP, DHX15 ABCG2 1604/4885MEN1 4237/4885NPC1 4257/4885
US-20120022066-A1 Insecticidal Triazines and Pyrimidines TYMS, TYMP, DHX15 ABCG2 1604/4885MEN1 4237/4885NPC1 4257/4885
US-20130267705-A1 Insecticidal Triazines and Pyrimidines TYMS, TYMP, DHX15 ABCG2 1604/4885MEN1 4237/4885NPC1 4257/4885

“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.