SCHEMBL5758802

SCHEMBL5758802

O=C(Nc1ccc2cc[nH]c2c1)c1cccnc1NCC1CCN(c2ccncc2)CC1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCB1 P08183 1/20 0.51
F10 P00742 2/20 0.51
KDR P35968 12/20 0.44
RXFP2 Q8WXD0 1/20 0.44
CIT O14578 1/20 0.42
MAP3K7 O43318 1/20 0.42
RIPK2 O43353 1/20 0.42
STK10 O94804 1/20 0.42
MAP4K4 O95819 1/20 0.42
ABL1 P00519 1/20 0.42
EGFR P00533 1/20 0.42
RAF1 P04049 1/20 0.42
LCK P06239 1/20 0.42
FYN P06241 1/20 0.42
CSF1R P07333 1/20 0.42
YES1 P07947 1/20 0.42
LYN P07948 1/20 0.42
RET P07949 1/20 0.42
HCK P08631 1/20 0.42
PDGFRB P09619 1/20 0.42

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
SCHEMBL5756198 0.83 KDR (0.61) ABCB1F10KDRALDH1A1BDKRB1
SCHEMBL6780369 0.81 ABCB1 (0.54) ABCB1F10KDRALDH1A1BDKRB1
SCHEMBL5760386 0.81 F10 (0.72) ABCB1F10KDRALDH1A1BDKRB1
Hydrochloric Acid SCHEMBL6774852 0.80 ABCB1 (0.53) ABCB1F10KDRALDH1A1BDKRB1
SCHEMBL445730 0.80 KDR (0.67) ABCB1KDRCITMAP3K7RIPK2
SCHEMBL6168414 0.78 RXFP2 (0.69) F10RXFP2
Ammonia Solution, Strong SCHEMBL5757646 0.77 F10 (0.58) ABCB1F10BDKRB1
Hydrochloric Acid SCHEMBL6890222 0.77 F10 (0.54) ABCB1F10KDRALDH1A1BDKRB1
Hydrochloric Acid SCHEMBL6773419 0.75 F10 (0.55) ABCB1F10KDRALDH1A1BDKRB1
Hydrochloric Acid SCHEMBL6774426 0.75 F10 (0.53) ABCB1F10KDRALDH1A1BDKRB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1140881-B1 ANTITHROMBOTIC AMIDES LILLY CO ELI (US) 2006-05-17 EP disclosed
US-6780878-B2 ANTICOAGULANTS; CARDIOVASACULAR DISORDERS ELI LILLY AND COMPANY 2004-08-24 US disclosed
US-6716839-B2 INHIBITOR OF FACTOR XA ELI LILLY AND COMPANY 2004-04-06 US disclosed
US-6716855-B2 INHIBITOR OF FACTOR XA; N1-(BENZOYL)-N2-(1-(4-PYRIDYL)PIPERIDIN-4-YL-METHYL)-1,2-BENZENDIAMINE HIGH BIOAVAILABILITY ELI LILLY AND COMPANY 2004-04-06 US disclosed
US-6710057-B2 INHIBITORS OF FACTOR XA, AS ANTICOAGULANTS FOR PROPHYLAXIS AND TREATMENT OF THROMBOEMBOLIC DISORDERS ELI LILLY AND COMPANY 2004-03-23 US disclosed
US-20030212069-A1 Antithrombotic amides ARGENTUM PHARMACEUTICALS LLC 2003-11-13 US disclosed
US-20030199504-A1 Antithrombotic amides ARGENTUM PHARMACEUTICALS LLC 2003-10-23 US disclosed
US-20030199505-A1 Antithrombotic amides ARGENTUM PHARMACEUTICALS LLC 2003-10-23 US disclosed
US-20030191153-A1 Antithrombotic amides ARGENTUM PHARMACEUTICALS LLC 2003-10-09 US disclosed
US-6610704-B1 Inhibit factor Xa ELI LILLY AND COMPANY 2003-08-26 US disclosed
EP-1140881-A1 ANTITHROMBOTIC AMIDES ELI LILLY AND COMPANY (US) 2001-10-10 EP disclosed
WO-2000039111-A1 ANTITHROMBOTIC AMIDES ELI LILLY AND COMPANY (US) 2000-07-06 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 (4 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-20030191153-A1 Antithrombotic amides F11, TFPI, SERPINC1 ABCB1 1732/4885F10 13/4885KDR 1677/4885
US-20030199504-A1 Antithrombotic amides F11, TFPI, SERPINC1 ABCB1 1732/4885F10 13/4885KDR 1677/4885
US-20030212069-A1 Antithrombotic amides F11, TFPI, SERPINC1 ABCB1 1732/4885F10 13/4885KDR 1677/4885
US-20030199505-A1 Antithrombotic amides F11, TFPI, SERPINC1 ABCB1 1732/4885F10 13/4885KDR 1677/4885

“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.