SCHEMBL3533832

SCHEMBL3533832

O=c1[nH]c(/C=C/c2cccc3ccccc23)nc2ccccc12

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 14/20 1.00
▸ KDM4E B2RXH2 5/20 1.00
▸ LMNA P02545 3/20 1.00
▸ NPC1 O15118 13/20 0.72
▸ POLB P06746 4/20 0.72
▸ ALDH1A1 P00352 4/20 0.72
▸ CASP3 P42574 3/20 0.72
▸ SENP7 Q9BQF6 3/20 0.72
▸ SENP6 Q9GZR1 3/20 0.72
▸ SMN1; SMN2 Q16637 3/20 0.72
▸ GAA P10253 3/20 0.72
▸ SENP8 Q96LD8 2/20 0.72
▸ MAPT P10636 2/20 0.72
▸ BLM P54132 1/20 0.72
▸ TDP1 Q9NUW8 1/20 0.72
▸ NPSR1 Q6W5P4 1/20 0.72
▸ TUBB4A P04350 2/20 0.68
▸ TUBB P07437 2/20 0.68
▸ TUBA3C P0DPH7 2/20 0.68
▸ TUBA1B P68363 2/20 0.68

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
SCHEMBL3533833 1.00 RAB9A (1.00) RAB9AKDM4ELMNANPC1POLB
SCHEMBL5776766 0.84 RAB9A (1.00) RAB9AKDM4ELMNANPC1POLB
SCHEMBL5776769 0.84 RAB9A (1.00) RAB9AKDM4ELMNANPC1POLB
SCHEMBL16383880 0.84 RAB9A (1.00) RAB9AKDM4ELMNANPC1POLB
SCHEMBL17712436 0.84 RAB9A (1.00) RAB9AKDM4ELMNANPC1POLB
SCHEMBL1508835 0.81 TUBB4A (1.00) RAB9AKDM4ELMNANPC1POLB
SCHEMBL1508832 0.81 TUBB4A (1.00) RAB9AKDM4ELMNANPC1POLB
SCHEMBL12066528 0.80 TUBB4A (0.74) RAB9AKDM4ELMNANPC1POLB
SCHEMBL12066518 0.80 TUBB4A (0.74) RAB9AKDM4ELMNANPC1POLB
SCHEMBL13779284 0.79 ABL1 (0.80) RAB9AKDM4ELMNANPC1POLB

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
US-7829566-B2 Such as (7-chloro-2-styryl-quinazolin-4-yl)-(3-imidazol-1-yl-propyl)-amine; glycoprotein antagonist; anticholesterol agents; cardiovascular disorders; strokes; antiischemic agents MEDERSKI WERNER 2010-11-09 — — US disclosed
US-20070293667-A1 4-Amino-quinazolines MEDERSKI WERNER 2007-12-20 — — US disclosed
WO-2004030671-A2 USE OF 4-AMINO-QUINAZOLINES AS ANTI CANCER AGENTS MERCK PATENT GMBH (DE) 2004-04-15 — — WO disclosed
US-20040044204-A1 4-amino-quinazolines ORTHO-MCNEIL PHARMACEUTICALS, INC. 2004-03-04 — — US disclosed
EP-1318985-A2 4-AMINO-QUINAZOLINES MERCK PATENT GmbH (DE) 2003-06-18 — — EP disclosed
WO-2002024666-A2 4-AMINO-QUINAZOLINES MERCK PATENT GMBH (DE) 2002-03-28 — — 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 (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-20040044204-A1 4-amino-quinazolines MRGPRX4, MRGPRX1, MRGPRX2 RAB9A 1048/4885KDM4E 3578/4885LMNA 2412/4885
US-20070293667-A1 4-Amino-quinazolines MRGPRX4, MRGPRX1, MRGPRX2 RAB9A 1097/4885KDM4E 3491/4885LMNA 2615/4885

“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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