SCHEMBL19099014

SCHEMBL19099014

Pn1ncc2c(Br)cccc21

nearest known ligand 0.61

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ NOS1 P29475 1/20 0.37
▸ AXL P30530 1/20 0.37
▸ NPC1 O15118 2/20 0.35
▸ RAB9A P51151 2/20 0.35
▸ GRM2 Q14416 4/20 0.33
▸ BACE1 P56817 1/20 0.32
▸ AHR P35869 1/20 0.31
▸ ALDH1A1 P00352 1/20 0.30
▸ LMNA P02545 1/20 0.30
▸ MAPT P10636 1/20 0.30
▸ HTT P42858 1/20 0.30
▸ PAX8 Q06710 1/20 0.30
▸ SMN1; SMN2 Q16637 1/20 0.30
▸ NPSR1 Q6W5P4 1/20 0.30
▸ RXFP1 Q9HBX9 1/20 0.30

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
SCHEMBL18993241 0.76 NOS1 (0.37) NOS1AXLNPC1RAB9AGRM2
SCHEMBL20226439 0.76 CYP11B1 (0.46) NPC1RAB9A
SCHEMBL1900443 0.76 CCR4 (0.40) NOS1AXLNPC1RAB9AGRM2
SCHEMBL29692488 0.76 CCR4 (0.40) NOS1AXLNPC1RAB9AGRM2
SCHEMBL28772690 0.73 CCR1 (0.38) NPC1RAB9ALMNASMN1; SMN2
SCHEMBL4112054 0.73 SCN9A (0.41) NOS1AXLNPC1RAB9AALDH1A1
SCHEMBL441028 0.72 CYP1A2 (0.54) ALDH1A1
SCHEMBL4126308 0.72 MAPT (0.50) NPC1RAB9AALDH1A1LMNAMAPT
SCHEMBL23652343 0.72 NOS1 (0.34) NOS1AXLNPC1RAB9AGRM2
SCHEMBL30975428 0.72 EZH2 (0.39) NOS1AXLNPC1RAB9AGRM2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170190672-A1 METHODS FOR PREPARATION OF QUINAZOLINE DERIVATIVES ARAXES PHARMA LLC 2017-07-06 — — 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 (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-20170190672-A1 METHODS FOR PREPARATION OF QUINAZOLINE DERIVATIVES TTBK2, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, TTBK1 NOS1 2271/4885AXL 2848/4885NPC1 3088/4885

“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.

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