SCHEMBL3973803

SCHEMBL3973803

CCN(CC)C(C)CCC(N)c1nc(-c2ccc(Br)s2)nc2cc(Cl)ccc12

nearest known ligand 0.32

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.31
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
LMNA P02545 1/20 0.31
POLB P06746 1/20 0.31
CASP3 P42574 1/20 0.31
RAB9A P51151 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
SENP8 Q96LD8 1/20 0.31
SENP7 Q9BQF6 1/20 0.31
SENP6 Q9GZR1 1/20 0.31
KCNH2 Q12809 2/20 0.31
CYP2D6 P10635 1/20 0.31
CYP2C19 P33261 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
PRNP P04156 1/20 0.31
APP P05067 1/20 0.31
CHRM2 P08172 1/20 0.31
CHRM4 P08173 1/20 0.31
CHRM5 P08912 1/20 0.31

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
SCHEMBL6667631 0.85 RXFP1 (0.31) MAPTKCNH2CYP2D6CYP2C19TDP1
SCHEMBL3540936 0.75 FLT3 (0.42)
SCHEMBL3540934 0.75 FLT3 (0.42)
SCHEMBL3973807 0.74 NAMPT (0.34)
SCHEMBL8539820 0.71 NR4A2 (0.47) MAPTKDM4ELMNAPOLBKCNH2
SCHEMBL3975328 0.71 ALDH1A1 (0.41) MAPTKDM4EALDH1A1LMNAPOLB
SCHEMBL3975363 0.70 CSK (0.53) MAPTKDM4EALDH1A1LMNAPOLB
SCHEMBL6669833 0.70 KDM1A (0.32)
SCHEMBL3975230 0.67 SLC2A1 (0.56) KDM4EALDH1A1LMNAPOLBTP53
SCHEMBL5917501 0.64 NPC1 (0.44) RAB9A

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 2 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

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 MAPT 4410/4885KDM4E 4808/4885ALDH1A1 1459/4885

“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.