SCHEMBL5866095

SCHEMBL5866095

N=C(N)c1ccc(CCSc2ccccc2N)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.50
PLAU P00749 2/20 0.48
NOS1 P29475 3/20 0.45
F10 P00742 3/20 0.44
LOXL2 Q9Y4K0 1/20 0.44
PRSS1 P07477 1/20 0.44
PRSS2 P07478 1/20 0.44
PRSS3 P35030 1/20 0.44
NPC1 O15118 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
RAB9A P51151 1/20 0.43
HIF1A Q16665 1/20 0.43
F2 P00734 2/20 0.42
BLM P54132 2/20 0.42
NPSR1 Q6W5P4 1/20 0.42
ST14 Q9Y5Y6 1/20 0.42
F12 P00748 1/20 0.41
F7 P08709 1/20 0.41
F3 P13726 1/20 0.41

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
SCHEMBL5866208 0.75 TMPRSS6 (0.51) PLAUF10PRSS1PRSS2PRSS3
Hydrochloric Acid SCHEMBL5866352 0.74 TMPRSS6 (0.52) PLAUPRSS1PRSS2PRSS3F2
SCHEMBL5866083 0.73 MAOB (0.61) POLBLOXL2CYP3A4NPSR1MEN1
SCHEMBL11383810 0.72 POLB (0.53) POLBNPC1CYP3A4CYP2D6RAB9A
SCHEMBL29351476 0.71 MEN1 (0.62) POLBNPC1CYP3A4RAB9ABLM
SCHEMBL292217 0.71 MEN1 (0.62) POLBNPC1CYP3A4RAB9ABLM
SCHEMBL5866092 0.71 POLB (0.45) POLBNPSR1MEN1KMT2APTGS2
SCHEMBL5866098 0.71 POLB (0.45) POLBNPSR1MEN1KMT2APTGS2
SCHEMBL23902130 0.71 PLAU (0.67) PLAUNOS1F10LOXL2PRSS1
SCHEMBL27680541 0.70 PRSS1 (0.69) PLAUF10LOXL2PRSS1PRSS2

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-7074820-B2 Amidino derivatives and their use as thrombin inhibitors ASTRAZENECA AB (SE) 2006-07-11 US disclosed
EP-0917528-B1 NEW AMIDINO DERIVATIVES AND THEIR USE AS THROMBIN INHIBITORS ASTRAZENECA AB (SE) 2002-09-18 EP disclosed
US-20020040043-A1 Amidino derivatives and their use as thrombin inhibitors ANTONSSON THOMAS (SE) 2002-04-04 US disclosed
US-6221898-B1 ANTICOAGULANTS ASTRA AKTIEBOLAG (SE) 2001-04-24 US disclosed
EP-0917528-A1 NEW AMIDINO DERIVATIVES AND THEIR USE AS THROMBIN INHIBITORS Astra Aktiebolag (SE) 1999-05-26 EP disclosed
WO-1998001422-A1 NEW AMIDINO DERIVATIVES AND THEIR USE AS THROMBIN INHIBITORS ASTRA AKTIEBOLAG (SE) 1998-01-15 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-20020040043-A1 Amidino derivatives and their use as thrombin inhibitors SERPINC1, F2, SERPINE1 POLB 2611/4885PLAU 43/4885NOS1 423/4885

“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.