SCHEMBL6606024

SCHEMBL6606024

N=C(N)c1ccc(CNC(=O)C2CCN2)cc1

nearest known ligand 0.61

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
F2 P00734 16/20 0.61
MASP2 O00187 3/20 0.56
HTR2C P28335 3/20 0.54
HTR2B P41595 1/20 0.54
ST14 Q9Y5Y6 1/20 0.51

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
SCHEMBL8809131 0.93 HTR2C (0.64) F2MASP2HTR2CHTR2B
Hydrochloric Acid SCHEMBL5900838 0.92 HTR2C (0.62) F2MASP2HTR2CHTR2B
Hydrochloric Acid SCHEMBL5900833 0.92 HTR2C (0.62) F2MASP2HTR2CHTR2B
SCHEMBL25489409 0.86 HTR2C (0.54) F2MASP2HTR2CHTR2B
SCHEMBL14542806 0.84 HTR2C (0.52) F2MASP2HTR2CHTR2B
SCHEMBL13238639 0.83 HTR2C (0.51) F2MASP2HTR2CHTR2B
SCHEMBL19309488 0.82 ALDH1A1 (0.62) F2MASP2HTR2C
Hydrochloric Acid SCHEMBL23452425 0.82 HTR2C (0.50) F2MASP2HTR2CHTR2B
Hydrochloric Acid SCHEMBL23452421 0.82 HTR2C (0.50) F2MASP2HTR2CHTR2B
SCHEMBL13111216 0.80 KDM4E (0.51) F2MASP2HTR2CHTR2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6716834-B2 ANTICOAGULANTS. ASTRAZENECA AB (SE) 2004-04-06 US claimed
EP-1283837-B1 NEW THIOCHROMANE DERIVATIVES AND THEIR USE AS THROMBIN INHIBITORS ASTRAZENECA AB (SE) 2004-02-25 EP claimed
US-20030220317-A1 Thiochromane derivatives and their use as thrombin inhibitors ASTRAZENECA AB (SE) 2003-11-27 US claimed
EP-1283837-A1 NEW THIOCHROMANE DERIVATIVES AND THEIR USE AS THROMBIN INHIBITORS AstraZeneca AB (SE) 2003-02-19 EP claimed
WO-2001087879-A1 NEW THIOCHROMANE DERIVATIVES AND THEIR USE AS THROMBIN INHIBITORS ASTRAZENECA AB (SE) 2001-11-22 WO claimed
US-6716834-B2 ANTICOAGULANTS. ASTRAZENECA AB (SE) 2004-04-06 US disclosed
EP-1283837-B1 NEW THIOCHROMANE DERIVATIVES AND THEIR USE AS THROMBIN INHIBITORS ASTRAZENECA AB (SE) 2004-02-25 EP disclosed
US-20030220317-A1 Thiochromane derivatives and their use as thrombin inhibitors ASTRAZENECA AB (SE) 2003-11-27 US disclosed
EP-1283837-A1 NEW THIOCHROMANE DERIVATIVES AND THEIR USE AS THROMBIN INHIBITORS AstraZeneca AB (SE) 2003-02-19 EP disclosed
WO-2001087879-A1 NEW THIOCHROMANE DERIVATIVES AND THEIR USE AS THROMBIN INHIBITORS ASTRAZENECA AB (SE) 2001-11-22 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-20030220317-A1 Thiochromane derivatives and their use as thrombin inhibitors SERPINC1, F2, TFPI F2 2/4885MASP2 87/4885HTR2C 1471/4885

“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.