SCHEMBL4795986

SCHEMBL4795986

c1cnc2cc3c(cc2c1)NCCS3

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.46
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
GAA P10253 1/20 0.46
NPC1 O15118 4/20 0.41
POLB P06746 2/20 0.41
RAB9A P51151 1/20 0.41
PDGFRB P09619 1/20 0.40
PDGFRA P16234 1/20 0.40
CASP6 P55212 1/20 0.39
CASP1 P29466 2/20 0.39
HTT P42858 2/20 0.39
MAPT P10636 2/20 0.39
CASP7 P55210 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2C19 P33261 1/20 0.39
NR4A2 P43354 1/20 0.39
KDM4E B2RXH2 1/20 0.39
TP53 P04637 1/20 0.39
HSP90AA1 P07900 1/20 0.39

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
SCHEMBL5623391 0.94 ALDH1A1 (0.50) ALDH1A1MEN1KMT2AGAANPC1
SCHEMBL11018306 0.83 NPC1 (0.43) ALDH1A1MEN1KMT2ANPC1POLB
Hydrochloric Acid SCHEMBL9823989 0.82 NPC1 (0.42) ALDH1A1MEN1KMT2ANPC1POLB
SCHEMBL13154657 0.73 POLB (0.43) ALDH1A1MEN1KMT2AGAANPC1
SCHEMBL7092665 0.73 HPGDS (0.40) ALDH1A1MEN1KMT2AGAAHTT
SCHEMBL13154647 0.70 NPC1 (0.43) ALDH1A1MEN1KMT2AGAANPC1
SCHEMBL4793575 0.70 ALDH1A1 (0.45) ALDH1A1MEN1KMT2AGAANPC1
SCHEMBL150476 0.70 NPC1 (0.65) ALDH1A1MEN1KMT2ANPC1POLB
SCHEMBL29350099 0.70 NPC1 (0.65) ALDH1A1MEN1KMT2ANPC1POLB
SCHEMBL5757843 0.68 ALDH1A1 (0.50) ALDH1A1MEN1KMT2AGAANPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2007118139-A9 DRUG ELUTING STRUCTURALLY VARIABLE STENT VASCULAR CONCEPTS HOLDINGS LTD (GB) 2008-10-23 WO disclosed
WO-2007118139-A2 DRUG ELUTING STRUCTURALLY VARIABLE STENT VASCULAR CONCEPTS HOLDINGS LIMITED (GB) 2007-10-18 WO disclosed
WO-2007002133-A2 STRUCTURALLY VARIABLE STENTS JAYARAMAN SWAMINATHAN (US) 2007-01-04 WO disclosed
US-20060224234-A1 Drug eluting structurally variable stent VASCULAR CONCEPTS HOLDINGS LIMITED (GB) 2006-10-05 US disclosed
US-20060004437-A1 Structurally variable stents VASCULAR CONCEPTS HOLDINGS LIMITED (GB) 2006-01-05 US disclosed
US-20040137066-A1 Rationally designed therapeutic intravascular implant coating VASCULAR CONCEPTS HOLDINGS LIMITED (GB) 2004-07-15 US disclosed
EP-1268487-B1 TRICYCLIC PROTEIN KINASE INHIBITORS WYETH CORP (US) 2003-11-26 EP disclosed
US-6608048-B2 Treatment of cancer, polycystic kidney disease and colonic polyps in mammals WYETH HOLDINGS 2003-08-19 US disclosed
US-20030065180-A1 Tricyclic protein kinase inhibitors AMERICAN HOME PRODUCTS CORPORATION (US) 2003-04-03 US disclosed
EP-1268487-A1 TRICYCLIC PROTEIN KINASE INHIBITORS Wyeth (US) 2003-01-02 EP disclosed
WO-2001072758-A1 TRICYCLIC PROTEIN KINASE INHIBITORS WYETH (US) 2001-10-04 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-20030065180-A1 Tricyclic protein kinase inhibitors PKD1, PKD2, PKN1 ALDH1A1 4115/4885MEN1 1566/4885KMT2A 1427/4885

“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.