SCHEMBL4066583

SCHEMBL4066583

[CH]1CCCN(c2ccncc2)C1

nearest known ligand 0.63

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CHKA P35790 1/20 0.63
ADRB2 P07550 1/20 0.47
NCF1 P14598 1/20 0.47
PLD1 Q13393 1/20 0.47
CYP2C19 P33261 6/20 0.42
CYP2C9 P11712 6/20 0.42
CYP3A4 P08684 4/20 0.42
TSHR P16473 3/20 0.42
CYP2D6 P10635 2/20 0.42
ALDH1A1 P00352 2/20 0.42
EED O75530 1/20 0.41
MAPK1 P28482 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
CYP1A2 P05177 1/20 0.36
HIF1A Q16665 2/20 0.35
HSD17B10 Q99714 1/20 0.35

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
SCHEMBL4065651 0.88 CHKA (0.56) CHKAADRB2NCF1PLD1CYP2C19
SCHEMBL1870787 0.79 LMNA (0.43) CHKACYP2C19CYP3A4TSHRCYP2D6
SCHEMBL49273 0.78 CHKA (1.00) CHKAADRB2NCF1PLD1CYP2C19
SCHEMBL19468905 0.78 CHKA (0.90) CHKAADRB2NCF1PLD1CYP2C19
SCHEMBL4071700 0.78 CHRNB2 (0.58)
SCHEMBL2205366 0.76 CHKA (0.95) CHKAADRB2NCF1PLD1CYP2C19
SCHEMBL48987 0.76 CHKA (0.95) CHKAADRB2NCF1PLD1CYP2C19
SCHEMBL10648775 0.76 CHKA (0.95) CHKAADRB2NCF1PLD1CYP2C19
Iodide SCHEMBL14249446 0.76 CHKA (0.95) CHKAADRB2NCF1PLD1CYP2C19
SCHEMBL30575196 0.76 CHKA (0.95) CHKAADRB2NCF1PLD1CYP2C19

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 52 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1014962-A4 ANTITHROMBOTIC AGENTS LILLY CO ELI (US) 2007-06-27 EP claimed
EP-1019045-B1 ANTITHROMBOTIC AGENTS LILLY CO ELI (US) 2005-06-08 EP claimed
US-6605626-B2 Benzamide inhibitors of factor Xa ELI LILLY AND COMPANY 2003-08-12 US claimed
US-6586459-B2 Inhibitors of factor Xa; for example 3-(4-tert-butylbenzoyl)amino-N-(4-methoxyphenyl)-2-thiophenecarboxamide BEIGHT DOUGLAS WADE (US) 2003-07-01 US claimed
US-6583173-B2 Useful as anticoagulants in mammals; inhibitors of factor Xa ELI LILLY AND COMPANY 2003-06-24 US claimed
US-20030078431-A1 Antithrombotic agents BEIGHT DOUGLAS WADE (US) 2003-04-24 US claimed
US-6500851-B2 ANTICOAGULANT IN MAMMLS ELI LILLY AND COMPANY 2002-12-31 US claimed
US-20020173518-A1 Antithrombotic agents BEIGHT DOUGLAS WADE (US) 2002-11-21 US claimed
US-20020120007-A1 Benzamide inhibitors of factor Xa BEIGHT DOUGLAS WADE (US) 2002-08-29 US claimed
EP-1019045-A4 ANTITHROMBOTIC AGENTS LILLY CO ELI (US) 2002-07-03 EP claimed
US-6313151-B1 AS INHIBITORS OF FACTOR XA AND ARE USED AS ANTICOAGULANTS IN MAMMALS ELI LILLY AND COMPANY 2001-11-06 US claimed
US-6313122-B1 AS INHIBITORS OF FACTOR XA AND ARE USED AS ANTICOAGULANTS IN MAMMALS ELI LILLY AND COMPANY 2001-11-06 US claimed
EP-0999834-A4 ANTITHROMBOTIC AGENTS LILLY CO ELI (US) 2001-04-04 EP claimed
EP-1019045-A1 ANTITHROMBOTIC AGENTS ELI LILLY AND COMPANY (US) 2000-07-19 EP claimed
EP-1014962-A1 ANTITHROMBOTIC AGENTS ELI LILLY AND COMPANY (US) 2000-07-05 EP claimed
EP-0999834-A1 ANTITHROMBOTIC AGENTS ELI LILLY AND COMPANY (US) 2000-05-17 EP claimed
WO-1999000128-A9 ANTITHROMBOTIC AGENTS LILLY CO ELI (US) 1999-08-05 WO claimed
WO-1999000121-A1 ANTITHROMBOTIC AGENTS ELI LILLY AND COMPANY (US) 1999-01-07 WO claimed
WO-1999000126-A1 ANTITHROMBOTIC AGENTS ELI LILLY AND COMPANY (US) 1999-01-07 WO claimed
WO-1999000128-A1 ANTITHROMBOTIC AGENTS ELI LILLY AND COMPANY (US) 1999-01-07 WO claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 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-20020173518-A1 Antithrombotic agents SERPINC1, TFPI, F11 CHKA 2940/4885ADRB2 1781/4885NCF1 985/4885
US-20020120007-A1 Benzamide inhibitors of factor Xa TFPI, F11, F12 CHKA 2778/4885ADRB2 3220/4885NCF1 717/4885
US-20030078431-A1 Antithrombotic agents SERPINC1, TFPI, F11 CHKA 2940/4885ADRB2 1781/4885NCF1 985/4885

“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.