SCHEMBL6484945

SCHEMBL6484945

N=C(N)c1ccc(CNC(=O)C2CCCN2C(=O)C2CCCN2)cn1

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
F2 P00734 16/20 0.49
F10 P00742 1/20 0.43
PLG P00747 1/20 0.43
PLAT P00750 1/20 0.43
PRSS1 P07477 1/20 0.43
PRSS2 P07478 1/20 0.43
PRSS3 P35030 1/20 0.43
KDM4E B2RXH2 1/20 0.42
HTR2C P28335 1/20 0.41
HTR2B P41595 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2C9 P11712 1/20 0.41
PKM P14618 1/20 0.41
CYP2C19 P33261 1/20 0.41
ALDH1A1 P00352 1/20 0.41
MASP2 O00187 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
Hydrochloric Acid SCHEMBL8810549 0.85 HTR2C (0.54) F2F10PLGPLATPRSS1
SCHEMBL23793372 0.82 F2 (0.59) F2HTR2CHTR2BMASP2
SCHEMBL6477871 0.81 F2 (0.54) F2F10PLGPLATPRSS1
SCHEMBL8393443 0.80 ALDH1A1 (0.59) F2HTR2CHTR2BCYP3A4CYP2C9
SCHEMBL30179363 0.80 ALDH1A1 (0.59) F2HTR2CHTR2BCYP3A4CYP2C9
SCHEMBL8535634 0.80 ALDH1A1 (0.59) F2HTR2CHTR2BCYP3A4CYP2C9
Hydrochloric Acid SCHEMBL9275339 0.79 POLB (0.57) F2HTR2CHTR2BCYP3A4CYP2C9
Hydrochloric Acid SCHEMBL9275345 0.79 POLB (0.57) F2HTR2CHTR2BCYP3A4CYP2C9
Hydrochloric Acid SCHEMBL27541627 0.79 ALDH1A1 (0.58) F2HTR2CHTR2BCYP3A4CYP2C9
SCHEMBL13263366 0.79 HTR2C (0.48) F2KDM4EHTR2CHTR2BCYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6900319-B2 Thrombin inhibitors ABBOTT GMBH & CO. KG (DE) 2005-05-31 US disclosed
US-20020169318-A1 Novel thrombin inhibitors ABBVIE DEUTSCHLAND GMBH & CO KG (DE) 2002-11-14 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-20020169318-A1 Novel thrombin inhibitors TFPI, SERPINC1, F11 F2 5/4885F10 23/4885PLG 78/4885

“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.