SCHEMBL14940686

SCHEMBL14940686

C1=Nc2cnc(-c3ccccc3)nc2NC1

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 1/20 0.39
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
NFKB1 P19838 1/20 0.39
NFKB2 Q00653 1/20 0.39
RELA Q04206 1/20 0.39
MAPT P10636 4/20 0.38
ALDH1A1 P00352 3/20 0.38
HPGDS O60760 3/20 0.37
LMNA P02545 1/20 0.37
RECQL P46063 1/20 0.37
KMT2A Q03164 4/20 0.37
MEN1 O00255 3/20 0.37
POLB P06746 1/20 0.37
TNKS2 Q9H2K2 1/20 0.36
HPGD P15428 1/20 0.35

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
SCHEMBL16178673 0.87 CYP2A6 (0.45) SMN1; SMN2MAPTALDH1A1HPGDSLMNA
SCHEMBL14940842 0.71
SCHEMBL1750073 0.69 NPC1 (0.42) HTR2CNPC1RAB9ASMN1; SMN2NFKB1
SCHEMBL379881 0.68 SORD (0.33)
SCHEMBL24787166 0.67 HTR2C (0.47) HTR2CNPC1RAB9ASMN1; SMN2NFKB1
SCHEMBL5804166 0.67 CYP11B1 (0.42) HTR2CNPC1RAB9ASMN1; SMN2NFKB1
SCHEMBL5332952 0.65 GRM5 (0.48) HTR2CNPC1RAB9ASMN1; SMN2NFKB1
SCHEMBL17318021 0.62 KDR (0.59) HTR2CNPC1RAB9ASMN1; SMN2NFKB1
Hydrochloric Acid SCHEMBL6470320 0.62 NPC1 (0.47) NPC1RAB9ASMN1; SMN2NFKB1NFKB2
SCHEMBL30379241 0.62 KDM4E (0.49) NPC1SMN1; SMN2MAPTALDH1A1KMT2A

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
US-9351974-B2 Substituted pteridinones for the treatment of cancer OSI Pharmaceuticals, LLC (US) 2016-05-31 US disclosed
US-20140315911-A1 DIHYDROPTERIDINONES OSI Pharmaceuticals, LLC 2014-10-23 US disclosed
EP-2776444-A1 DIHYDROPTERIDINONES OSI Pharmaceuticals, LLC (US) 2014-09-17 EP disclosed
WO-2013071217-A1 DIHYDROPTERIDINONES OSI Pharmaceuticals, LLC (US) 2013-05-16 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-20140315911-A1 DIHYDROPTERIDINONES DHPS, DHODH, HYPK HTR2C 4096/4885NPC1 556/4885RAB9A 1497/4885

“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.