SCHEMBL3979500

SCHEMBL3979500

Clc1ccc2c(NCCc3ccccn3)ncnc2c1

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.77
ALDH1A1 P00352 2/20 0.77
HPGD P15428 1/20 0.77
HTT P42858 6/20 0.56
SMN1; SMN2 Q16637 4/20 0.56
RXFP1 Q9HBX9 2/20 0.55
PPARG P37231 1/20 0.55
NR2E3 Q9Y5X4 1/20 0.55
NCOR2 Q9Y618 1/20 0.55
PIK3CD O00329 2/20 0.52
PIK3R1 P27986 2/20 0.52
LMNA P02545 1/20 0.52
NPC1 O15118 1/20 0.52
NPSR1 Q6W5P4 1/20 0.52
CNR1 P21554 1/20 0.50
CNR2 P34972 1/20 0.50
PKM P14618 1/20 0.50
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
NR2F2 P24468 1/20 0.49

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
SCHEMBL5667392 0.87 KDM4E (1.00) KDM4EALDH1A1HPGDHTTSMN1; SMN2
SCHEMBL17803699 0.84 HTT (0.67) KDM4EALDH1A1HPGDHTTSMN1; SMN2
SCHEMBL8975149 0.83 HTT (0.71) KDM4EALDH1A1HPGDHTTSMN1; SMN2
SCHEMBL11846406 0.82 KDM4E (0.63) KDM4EALDH1A1HPGDHTTSMN1; SMN2
SCHEMBL4237965 0.78 GBA1 (0.62) KDM4EALDH1A1HPGDMEN1KMT2A
SCHEMBL3972860 0.78 CTNNB1 (0.56) KDM4EALDH1A1HPGDKMT2A
SCHEMBL11849897 0.78 HDAC1 (0.60) KDM4EALDH1A1HPGDHTTSMN1; SMN2
SCHEMBL11855329 0.78 HDAC1 (0.60) KDM4EALDH1A1HPGDHTTSMN1; SMN2
SCHEMBL11857739 0.78 HDAC1 (0.60) KDM4EALDH1A1HPGDHTTSMN1; SMN2
SCHEMBL7461530 0.78 PKM (0.56) KDM4EALDH1A1HPGDHTTSMN1; SMN2

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 5 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
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 KDM4E 4808/4885ALDH1A1 1459/4885HPGD 1832/4885

“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.