SCHEMBL3973898

SCHEMBL3973898

Cc1ccc2nc(-c3ccc(Br)cc3)nc(Cl)c2c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.45
MAPT P10636 2/20 0.44
TP53 P04637 1/20 0.44
CYP1A2 P05177 3/20 0.43
ALDH1A1 P00352 2/20 0.43
CYP1A1 P04798 2/20 0.43
CYP1B1 Q16678 2/20 0.43
KDM4E B2RXH2 1/20 0.43
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
XBP1 P17861 1/20 0.41
HTT P42858 1/20 0.41
ATM Q13315 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
ADORA3 P0DMS8 1/20 0.40
HSP90AA1 P07900 1/20 0.40
GAA P10253 1/20 0.40
ALOX15 P16050 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
HSD17B10 Q99714 1/20 0.40

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
SCHEMBL11825482 0.86 LMNA (0.58) LMNAMAPTTP53CYP1A2ALDH1A1
SCHEMBL3972857 0.84 NPC1 (0.50) CYP1A2ALDH1A1CYP1A1CYP1B1KDM4E
SCHEMBL8268904 0.82 DHODH (0.43) MAPTCYP1A2CYP1A1CYP1B1DHODH
SCHEMBL3497699 0.80 HTT (0.49) LMNACYP1A2ALDH1A1CYP1A1CYP1B1
SCHEMBL5793174 0.78 CYP1B1 (0.64) TP53CYP1A2CYP1A1CYP1B1NPC1
SCHEMBL3459657 0.77 HTT (0.49) MAPTCYP1A2ALDH1A1CYP1A1CYP1B1
SCHEMBL7014608 0.77 LMNA (0.44) LMNAMAPTTP53CYP1A2ALDH1A1
SCHEMBL3976324 0.77 SLC2A1 (0.56) TP53KDM4ENPC1RAB9ANPSR1
SCHEMBL14726233 0.75 PDE5A (0.60) LMNAMAPTTP53CYP1A2ALDH1A1
SCHEMBL3973373 0.75 CYP1A1 (0.42) LMNAMAPTCYP1A2CYP1A1CYP1B1

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-7547702-B2 4-amino-quinazolines ORTHO-MCNEIL PHARMACEUTICAL, INC. (US) 2009-06-16 US disclosed
US-20060019974-A1 Glycoprotein antagonist; anticholesterol agents; cardiovascular disorders; strokes; antiischemic agents ORTHO-MCNEIL PHARMACEUTICALS, INC. 2006-01-26 US disclosed
WO-2004030672-A1 USE OF 4 AMINO-QUINAZOLINES AS ANTI CANCER AGENTS MERCK PATENT GMBH (DE) 2004-04-15 WO disclosed
CN-1474815-A 4-amino-quinazolines Ĭ��ר���ɷ����޹�˾ 2004-02-11 CN disclosed
EP-1318984-A1 4-AMINO-QUINAZOLINES MERCK PATENT GmbH (DE) 2003-06-18 EP disclosed
WO-2002024667-A1 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 (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-20060019974-A1 Glycoprotein antagonist; anticholesterol agents; cardiovascular disorders; strokes; antiischemic agents SERPINA3, APOL1, MGAT3 LMNA 732/4885MAPT 4410/4885TP53 2851/4885

“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.