SCHEMBL2010686

SCHEMBL2010686

Nc1ccc(N)c(-c2cc(N)c(N)c(N)c2N)c1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CASP1 P29466 3/20 0.34
ALDH1A1 P00352 6/20 0.34
CYP3A4 P08684 6/20 0.34
TSHR P16473 4/20 0.34
TDP1 Q9NUW8 3/20 0.34
NPC1 O15118 2/20 0.34
RAB9A P51151 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
TP53 P04637 1/20 0.34
MAPK1 P28482 1/20 0.34
POLB P06746 3/20 0.33
MEN1 O00255 3/20 0.33
KMT2A Q03164 3/20 0.33
RECQL P46063 3/20 0.33
BLM P54132 2/20 0.33
PTPRC P08575 2/20 0.33
ALOX15 P16050 2/20 0.33
THRB P10828 2/20 0.33
HPGD P15428 2/20 0.33
MAPT P10636 2/20 0.33

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
SCHEMBL3338155 0.83 CASP1 (0.46) CASP1ALDH1A1CYP3A4TSHRTDP1
SCHEMBL4294691 0.74 TDP1 (0.46) ALDH1A1CYP3A4TDP1NPC1RAB9A
SCHEMBL6228512 0.74 ALDH1A1 (0.62) CASP1ALDH1A1CYP3A4TSHRTDP1
SCHEMBL6011526 0.73 CASP1 (0.44) CASP1ALDH1A1CYP3A4TSHRTDP1
SCHEMBL5133404 0.71 ALDH1A1 (0.65) CASP1ALDH1A1CYP3A4TSHRTDP1
SCHEMBL6573199 0.71 CASP1 (0.43) CASP1ALDH1A1CYP3A4TSHRTDP1
SCHEMBL5688007 0.70 TSHR (0.48) CASP1ALDH1A1CYP3A4TSHRTDP1
SCHEMBL6572324 0.70 PDE10A (0.54) CASP1ALDH1A1CYP3A4TSHRTDP1
SCHEMBL6572102 0.70 ALDH1A1 (0.48) CASP1ALDH1A1CYP3A4TSHRTDP1
SCHEMBL7545678 0.70 ALDH1A1 (0.54) CASP1ALDH1A1CYP3A4TSHRTDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7964754-B2 Diimmonium salt and near infrared ray absorption film containing the same SK CHEMICALS CO., LTD. (KR) 2011-06-21 US disclosed
US-20100179348-A1 DIIMMONIUM SALT AND NEAR INFRARED RAY ABSORPTION FILM CONTAINING THE SAME SK CHEMICALS CO., LTD. (KR) 2010-07-15 US disclosed
WO-2008030039-A1 DIIMMONIUM SALT AND NEAR INFRARED RAY ABSORPTION FILM CONTAINING THE SAME SK CHEMICALS CO., LTD. (KR) 2008-03-13 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-20100179348-A1 DIIMMONIUM SALT AND NEAR INFRARED RAY ABSORPTION FILM CONTAINING THE SAME SLC9B2, SLC9A3, SLC9A1 CASP1 3824/4885ALDH1A1 3940/4885CYP3A4 3336/4885

“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.