SCHEMBL5382886

SCHEMBL5382886

COCc1nccn1-c1ccc(N)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FGFR1 P11362 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP19A1 P11511 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
MKNK1 Q9BUB5 1/20 0.37
MKNK2 Q9HBH9 1/20 0.37
MAPT P10636 4/20 0.35
ALDH1A1 P00352 4/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
LMNA P02545 1/20 0.35
PDE4A P27815 3/20 0.34
PDE4B Q07343 3/20 0.34
PDE4C Q08493 3/20 0.34
PDE4D Q08499 3/20 0.34
KDM4E B2RXH2 2/20 0.33
GAA P10253 2/20 0.33
GFER P55789 2/20 0.33

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
SCHEMBL11026853 0.84 CYP1A2 (0.44) CYP1A2CYP3A4CYP2D6CYP19A1CYP2C9
SCHEMBL8429953 0.81 PDE4A (0.48) FGFR1CYP1A2CYP3A4CYP2D6CYP19A1
SCHEMBL25362321 0.80 CYP1A2 (0.33) FGFR1CYP1A2CYP3A4CYP2D6CYP19A1
SCHEMBL10899859 0.79 PDE4A (0.49) FGFR1CYP1A2CYP3A4CYP2D6CYP19A1
SCHEMBL3748867 0.78 PDE4A (0.48) FGFR1CYP1A2CYP3A4CYP2D6CYP19A1
SCHEMBL5376248 0.78 MAPT (0.43) CYP1A2MAPTALDH1A1SMN1; SMN2LMNA
SCHEMBL5395497 0.77 F10 (0.43) MKNK1MKNK2MAPTSMN1; SMN2LMNA
SCHEMBL6177595 0.72 MKNK1 (0.43) FGFR1CYP1A2CYP3A4CYP2D6CYP19A1
SCHEMBL265184 0.72 ALDH1A1 (0.61) CYP1A2CYP3A4CYP2D6CYP19A1CYP2C9
SCHEMBL5387033 0.71 MKNK1 (0.46) FGFR1CYP1A2CYP3A4CYP2D6CYP19A1

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-7235575-B2 Guanidine mimics as factor Xa inhibitors BRISTOL MYERS SQUIBB COMPANY (US) 2007-06-26 US disclosed
US-20060040973-A1 1-Aminoisoindolyl derivatives and 3-amino- and 3-hydroxy- indazolyl-, benzisoxazolyl, and benzisothiazolyl- derivatives, e.g., 3-(3'-Aminobenzisoxazol-5'-yl)-5-[(2'-aminosulfonyl-[1,1']-biphen-4-yl)aminocarbonyl]-5-methylisoxazoline; treating thromboembolic disorders LAM PATRICK Y 2006-02-23 US disclosed
US-6965036-B2 Intermediates for guanidine mimics as factor Xa inhibitors BRISTOL-MYERS SQUIBB PHARMA COMPANY 2005-11-15 US disclosed
US-6958356-B2 Guanidine mimics factor Xa inhibitors BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2005-10-25 US disclosed
EP-0991638-B1 NOVEL GUANIDINE MIMICS AS FACTOR Xa INHIBITORS BRISTOL MYERS SQUIBB PHARMA CO (US) 2005-08-17 EP disclosed
US-6906070-B2 Anticoagulants BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2005-06-14 US disclosed
US-20040063772-A1 Novel intermediates for guanidine mimics as factor Xa inhibitors BRISTOL-MYERS SQUIBB PHARMA COMPANY 2004-04-01 US disclosed
US-20030069258-A1 Novel guanidine mimics factor Xa inhibitors BRISTOL-MYERS SQUIBB PHARMA COMPANY 2003-04-10 US disclosed
US-20020025963-A1 Novel guanidine mimics as factor Xa inhibitors BRISTOL-MYERS SQUIBB PHARMA COMPANY 2002-02-28 US disclosed
US-6339099-B1 FOR THERAPY AND PROPHYLAXIS OF THROMBOEMBOLIC DISORDER DUPONT PHARMACEUTICALS COMPANY 2002-01-15 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 (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-20060040973-A1 1-Aminoisoindolyl derivatives and 3-amino- and 3-hydroxy- indazolyl-, benzisoxazolyl, and benzisothiazolyl- derivatives, e.g., 3-(3'-Aminobenzisoxazol-5'-yl)-5-[(2'-aminosulfonyl-[1,1']-biphen-4-yl)aminocarbonyl]-5-methylisoxazoline; treating thromboembolic disorders SERPINC1, F7, SERPINE1 FGFR1 2074/4885CYP1A2 474/4885CYP3A4 549/4885
US-20030069258-A1 Novel guanidine mimics factor Xa inhibitors TFPI, F11, F12 FGFR1 2716/4885CYP1A2 1414/4885CYP3A4 1648/4885
US-20040063772-A1 Novel intermediates for guanidine mimics as factor Xa inhibitors TFPI, SERPINC1, F11 FGFR1 2179/4885CYP1A2 768/4885CYP3A4 1284/4885
US-20020025963-A1 Novel guanidine mimics as factor Xa inhibitors F11, SERPINC1, TFPI FGFR1 2699/4885CYP1A2 852/4885CYP3A4 1161/4885

“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.