SCHEMBL15314918

SCHEMBL15314918

Cc1cc2ncnc(N3CCCCC3)c2cc1C

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKDC P78527 2/20 0.52
NPC1 O15118 2/20 0.51
PKM P14618 2/20 0.51
TP53 P04637 4/20 0.51
MAPT P10636 3/20 0.51
ACHE P22303 2/20 0.49
BACE1 P56817 2/20 0.49
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
CHRM4 P08173 1/20 0.48
PDE10A Q9Y233 1/20 0.48
LMNA P02545 5/20 0.48
TSHR P16473 3/20 0.48
HTT P42858 3/20 0.48
PRNP P04156 1/20 0.48
ALOX15 P16050 1/20 0.48
PPARG P37231 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
RXFP1 Q9HBX9 1/20 0.48
NR2E3 Q9Y5X4 1/20 0.48

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
SCHEMBL25656113 1.00 PRKDC (0.52) PRKDCNPC1PKMTP53MAPT
SCHEMBL15314919 0.88 PRKDC (0.48) PRKDCNPC1PKMTP53MAPT
SCHEMBL25656112 0.88 PRKDC (0.48) PRKDCNPC1PKMTP53MAPT
SCHEMBL25656099 0.85 CYP1A2 (0.56) MAPTACHEBACE1MEN1KMT2A
SCHEMBL25656143 0.82 ENPP1 (0.48) ACHEBACE1HTTNPSR1ALDH1A1
SCHEMBL25656106 0.81 ENPP1 (0.60) MAPTACHEBACE1LMNAALDH1A1
SCHEMBL25656000 0.81 ENPP1 (0.73) ACHEBACE1MEN1KMT2ALMNA
SCHEMBL25656147 0.80 ENPP1 (0.51) ACHEBACE1MEN1KMT2ALMNA
SCHEMBL5518977 0.80 ACHE (0.76) ACHEBACE1PDE10AALDH1A1SMN1; SMN2
SCHEMBL25841522 0.79 ENPP1 (0.51) ACHEBACE1CHRM4PDE10ALMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150133439-A1 QUINAZOLINE DERIVATIVES AS KINASE INHIBITORS MILLENNIUM PHARMACEUTICALS, INC. 2015-05-14 US disclosed
US-20130274252-A1 QUINAZOLINE DERIVATIVES AS KINASE INHIBITORS MILLENNIUM PHARMACEUTICALS, INC. 2013-10-17 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 (2 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-20150133439-A1 QUINAZOLINE DERIVATIVES AS KINASE INHIBITORS WNK2, WNK1, WNK3 PRKDC 204/4885NPC1 4052/4885PKM 1046/4885
US-20130274252-A1 QUINAZOLINE DERIVATIVES AS KINASE INHIBITORS WNK2, WNK1, WNK3 PRKDC 204/4885NPC1 4052/4885PKM 1046/4885

“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.