SCHEMBL4977587

SCHEMBL4977587

Nc1[c]nc(NC(=O)c2ccccc2)nc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.51
CYP3A4 P08684 1/20 0.51
GAA P10253 1/20 0.51
CYP2C19 P33261 1/20 0.51
LMNA P02545 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
MAPK1 P28482 2/20 0.47
HDAC3 O15379 1/20 0.47
HDAC1 Q13547 1/20 0.47
HDAC2 Q92769 1/20 0.47
ADORA1 P30542 1/20 0.46
HCAR3 P49019 1/20 0.46
BCAT2 O15382 1/20 0.46
KCNQ3 O43525 1/20 0.45
KCNQ2 O43526 1/20 0.45
P4HTM Q9NXG6 1/20 0.45
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
KDR P35968 2/20 0.44
NAMPT P43490 1/20 0.44

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
SCHEMBL678202 0.81 LMNA (0.55) CYP1A2CYP3A4GAACYP2C19LMNA
SCHEMBL10999313 0.79 CYP1A2 (0.53) CYP1A2CYP3A4GAACYP2C19LMNA
SCHEMBL10143665 0.76 CYP1A2 (0.53) CYP1A2CYP3A4GAACYP2C19LMNA
SCHEMBL11087556 0.75 CYP1A2 (0.52) CYP1A2CYP3A4GAACYP2C19LMNA
SCHEMBL13543517 0.75 NPC1 (0.56) CYP1A2CYP3A4GAACYP2C19LMNA
SCHEMBL27468291 0.75 MEN1 (0.51) CYP1A2CYP3A4GAACYP2C19HDAC3
SCHEMBL22190912 0.75 CYP1A2 (0.51) CYP1A2CYP3A4GAACYP2C19MAPK1
SCHEMBL6307534 0.74 NPC1 (0.58) CYP1A2CYP3A4GAACYP2C19LMNA
SCHEMBL31060745 0.74 NPC1 (0.58) CYP1A2CYP3A4GAACYP2C19LMNA
SCHEMBL997872 0.73 RAB9A (0.59) ADORA1MEN1KMT2AKDRJAK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1994021-A2 QUINAZOLINE DERIVATIVES AS PHOSPHODIESTERASE 10 INHIBITORS Amgen Inc. (US) 2008-11-26 EP claimed
US-20070265258-A1 Quinazoline derivatives as phosphodiesterase 10 inhibitors AMGEN INC. 2007-11-15 US claimed
WO-2007103370-A2 QUINAZOLINE DERIVATIVES AS PHOSPHODIESTERASE 10 INHIBITORS AMGEN INC. (US) 2007-09-13 WO claimed
EP-1994021-A2 QUINAZOLINE DERIVATIVES AS PHOSPHODIESTERASE 10 INHIBITORS Amgen Inc. (US) 2008-11-26 EP disclosed
US-20070265258-A1 Quinazoline derivatives as phosphodiesterase 10 inhibitors AMGEN INC. 2007-11-15 US disclosed
WO-2007103370-A2 QUINAZOLINE DERIVATIVES AS PHOSPHODIESTERASE 10 INHIBITORS AMGEN INC. (US) 2007-09-13 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-20070265258-A1 Quinazoline derivatives as phosphodiesterase 10 inhibitors PDE12, PDE5A, PDE7A CYP1A2 516/4885CYP3A4 469/4885GAA 95/4885

“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.