SCHEMBL4421639

SCHEMBL4421639

N=C(N)Nc1nc2c(s1)CC(CN)CC2

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 8/20 0.44
NPC1 O15118 8/20 0.44
SMN1; SMN2 Q16637 6/20 0.44
MAPT P10636 7/20 0.39
ALDH1A1 P00352 7/20 0.39
TP53 P04637 4/20 0.39
HSD17B10 Q99714 1/20 0.39
LMNA P02545 4/20 0.38
THRB P10828 1/20 0.38
KDM4E B2RXH2 1/20 0.38
HTT P42858 1/20 0.37
POLB P06746 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
GSK3B P49841 1/20 0.36
CSNK2A1 P68400 1/20 0.36

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
SCHEMBL3542473 0.86 RAB9A (0.44) RAB9ANPC1SMN1; SMN2MAPTALDH1A1
SCHEMBL13314762 0.86 RAB9A (0.44) RAB9ANPC1SMN1; SMN2MAPTALDH1A1
SCHEMBL3536924 0.82 RAB9A (0.46) RAB9ANPC1SMN1; SMN2MAPTALDH1A1
SCHEMBL3540501 0.81 RAB9A (0.67) RAB9ANPC1SMN1; SMN2MAPTALDH1A1
SCHEMBL13314769 0.81 RAB9A (0.67) RAB9ANPC1SMN1; SMN2MAPTALDH1A1
SCHEMBL13314763 0.77 MAPT (0.57) RAB9ANPC1SMN1; SMN2MAPTALDH1A1
SCHEMBL3537545 0.77 PDK1 (0.56) RAB9ANPC1SMN1; SMN2MAPTALDH1A1
SCHEMBL13314760 0.77 RAB9A (0.46) RAB9ANPC1SMN1; SMN2MAPTALDH1A1
SCHEMBL3536479 0.77 MAPT (0.57) RAB9ANPC1SMN1; SMN2MAPTALDH1A1
SCHEMBL3539167 0.77 RAB9A (0.46) RAB9ANPC1SMN1; SMN2MAPTALDH1A1

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-7524871-B2 Thrombin inhibitors UNIVERSITY OF LJUBLJANA, FACULTY OF PHARMACY (SI) 2009-04-28 US disclosed
US-7524871-B2 Thrombin inhibitors UNIVERSITY OF LJUBLJANA, FACULTY OF PHARMACY (SI) 2009-04-28 US disclosed
US-7524871-B2 Thrombin inhibitors UNIVERSITY OF LJUBLJANA, FACULTY OF PHARMACY (SI) 2009-04-28 US disclosed
US-20050165034-A1 Novel heterocyclic derivatives of tripeptides and tripeptide mimetics; (+-)-2-[3-[(benzylsulfonyl)amino]-6-methyl-2-oxo-1 (2H)-pyridinyl]-N-[(4,5,6,7-tetrahydro-2H-indazole-5-yl]acetamide; anticoagulants UNIVERSITY OF LJUBLJANA, FACULTY OF PHARMACY (SI) 2005-07-28 US disclosed
EP-1451175-A1 THROMBIN INHIBITORS University of Ljubljana (SI) 2004-09-01 EP disclosed
WO-2003048155-A1 THROMBIN INHIBITORS UNIVERSITY OF LJUBLJANA (SI) 2003-06-12 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-20050165034-A1 Novel heterocyclic derivatives of tripeptides and tripeptide mimetics; (+-)-2-[3-[(benzylsulfonyl)amino]-6-methyl-2-oxo-1 (2H)-pyridinyl]-N-[(4,5,6,7-tetrahydro-2H-indazole-5-yl]acetamide; anticoagulants SERPINC1, TFPI, SERPINE1 RAB9A 4448/4885NPC1 4758/4885SMN1; SMN2 3394/4885

“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.