SCHEMBL7345835

SCHEMBL7345835

Cc1cccnc1NC(=O)c1ccc2cc(C(=N)N)ccc2c1

nearest known ligand 0.58

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.58
TP53 P04637 1/20 0.58
HPGD P15428 1/20 0.58
HSD17B10 Q99714 1/20 0.58
RAB9A P51151 3/20 0.57
PLAU P00749 13/20 0.56
PLG P00747 8/20 0.56
KLKB1 P03952 7/20 0.56
PRSS1 P07477 7/20 0.56
F2 P00734 6/20 0.56
PLAT P00750 6/20 0.56
KLK1 P06870 1/20 0.56
L3MBTL1 Q9Y468 2/20 0.50
KMT2A Q03164 1/20 0.50
NPC1 O15118 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
MAPT P10636 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
Hydrochloric Acid SCHEMBL7373965 0.99 ALDH1A1 (0.57) ALDH1A1TP53HPGDHSD17B10RAB9A
Trifluoroacetic Acid SCHEMBL7844475 0.92 PLAU (0.52) ALDH1A1TP53HPGDHSD17B10RAB9A
SCHEMBL30594478 0.87 RAB9A (0.63) ALDH1A1TP53HPGDHSD17B10RAB9A
SCHEMBL29124508 0.87 RAB9A (0.63) ALDH1A1TP53HPGDHSD17B10RAB9A
SCHEMBL7345841 0.80 ALDH1A1 (0.53) ALDH1A1TP53HPGDHSD17B10RAB9A
Hydrochloric Acid SCHEMBL7373968 0.79 ALDH1A1 (0.53) ALDH1A1TP53HPGDHSD17B10RAB9A
SCHEMBL8555646 0.76 KMT2A (0.63) ALDH1A1TP53HPGDHSD17B10RAB9A
SCHEMBL7337891 0.76 PABPC1 (0.65) RAB9APLAUPLGKLKB1PRSS1
SCHEMBL7532358 0.75 KMT2A (0.68) ALDH1A1TP53HPGDHSD17B10RAB9A
SCHEMBL7341806 0.74 SIRT2 (0.59) PLAUPLGKLKB1PRSS1F2

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-20010049374-A1 Urokinase inhibitors STEELE ANDREW W (US) 2001-12-06 US disclosed
US-6284796-B1 NAPHTHAMIDINE COMPOUNDS ABBOTT LABORATORIES 2001-09-04 US disclosed
US-6258822-B1 ENZYME INHIBITORS OF NAPHTHALENE AMIDINE COMPOUNDS ABBOTT LABORATORIES 2001-07-10 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-20010049374-A1 Urokinase inhibitors SERPINE1, PLAU, SERPINB1 ALDH1A1 920/4885TP53 3803/4885HPGD 376/4885

“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.