SCHEMBL4466772

SCHEMBL4466772

COc1ccc(CNC(=N)NC#N)cc1

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.54
PKM P14618 1/20 0.54
NPC1 O15118 4/20 0.46
LMNA P02545 1/20 0.46
RAB9A P51151 3/20 0.44
HPGD P15428 2/20 0.44
MAPT P10636 1/20 0.44
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
EPHX2 P34913 1/20 0.43
NR1H4 Q96RI1 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
KDM4E B2RXH2 1/20 0.43
MAOA P21397 1/20 0.43
MAOB P27338 1/20 0.43
ATM Q13315 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
SCHEMBL10384265 0.82 ALDH1A1 (0.53) ALDH1A1PKMLMNAHPGDMEN1
SCHEMBL2186014 0.80 ALDH1A1 (0.61) ALDH1A1PKMNPC1LMNARAB9A
SCHEMBL14625827 0.80 ALDH1A1 (0.61) ALDH1A1PKMNPC1LMNARAB9A
SCHEMBL6978794 0.80 ALDH1A1 (0.71) ALDH1A1PKMLMNAMAPTMEN1
SCHEMBL10591739 0.79 ALDH1A1 (0.59) ALDH1A1PKMNPC1LMNARAB9A
SCHEMBL4682902 0.79 MEN1 (0.50) ALDH1A1NPC1RAB9AHPGDMAPT
SCHEMBL11391340 0.79 PLA2G1B (0.50) ALDH1A1NPC1LMNARAB9AHPGD
SCHEMBL8894996 0.78 MCL1 (0.50) ALDH1A1PKMLMNAHPGDMAPT
SCHEMBL17731597 0.77 ALDH1A1 (0.53) ALDH1A1PKMNPC1LMNARAB9A
SCHEMBL9689354 0.77 MCL1 (0.34) ALDH1A1LMNAHPGDMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1574503-B1 2,4-Diamino-1,3,5-triazine derivative HAMARI CHEMICALS LTD (JP) 2013-03-13 EP disclosed
US-7622469-B2 2,4-diamino-1,3,5-triazine derivatives HAMARI CHEMICALS, LTD. (JP) 2009-11-24 US disclosed
US-20060154928-A1 Novel 2,4-diamino-1,3,5-triazine derivative HAMARI CHEMICALS, LTD. (JP) 2006-07-13 US disclosed
EP-1574503-A1 NOVEL 2,4-DIAMINO-1,3,5-TRIAZINE DERIVATIVE Hamari Chemicals Co., Ltd. (JP) 2005-09-14 EP 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-20060154928-A1 Novel 2,4-diamino-1,3,5-triazine derivative DAZAP1, DCUN1D5, TLR5 ALDH1A1 279/4885PKM 4426/4885NPC1 1634/4885

“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.