SCHEMBL4470088

SCHEMBL4470088

O=CNCCn1ccnc1

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TBXAS1 P24557 7/20 0.52
ALDH1A1 P00352 2/20 0.50
EGLN3 Q9H6Z9 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.45
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2D6 P10635 1/20 0.45
CYP2C9 P11712 1/20 0.45
HSD17B10 Q99714 1/20 0.45
CA12 O43570 1/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
CA9 Q16790 1/20 0.44
NPC1 O15118 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
QPCT Q16769 1/20 0.42
FDPS P14324 2/20 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
SCHEMBL299554 0.91 TBXAS1 (0.57) TBXAS1ALDH1A1L3MBTL1CYP1A2CYP3A4
SCHEMBL10768414 0.91 TBXAS1 (0.62) TBXAS1ALDH1A1L3MBTL1CYP1A2CYP3A4
SCHEMBL8191732 0.82
SCHEMBL2001148 0.79
Hydrochloric Acid SCHEMBL25239361 0.78 TBXAS1 (0.54) TBXAS1ALDH1A1EGLN3FDPS
SCHEMBL12473244 0.76 TBXAS1 (0.53) TBXAS1ALDH1A1EGLN3L3MBTL1CYP1A2
SCHEMBL6933057 0.76 TBXAS1 (0.63) TBXAS1ALDH1A1EGLN3
SCHEMBL2580996 0.76 TBXAS1 (0.47) TBXAS1ALDH1A1EGLN3L3MBTL1CYP1A2
SCHEMBL19786259 0.75 TBXAS1 (0.68) TBXAS1ALDH1A1L3MBTL1CYP1A2CYP3A4
SCHEMBL20690998 0.75

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1009738-B1 SUBSTITUTED OXINDOLE DERIVATIVES AS PROTEIN TYROSINE KINASE AND AS PROTEIN SERINE/THREONINE KINASE INHIBITORS GLAXO GROUP LTD (GB) 2004-05-19 EP claimed
US-6541503-B2 Preventing chemotherapy induced alopecia. SMITHKLINE BEECHAM CORPORATION 2003-04-01 US claimed
US-20030004351-A1 Substituted oxindole derivatives as protein tyrosine kinase and as protein serine/threonine kinase inhibitors SMITHKLINE BEECHAM CORPORATION 2003-01-02 US claimed
EP-2445914-B1 DERIVATIVES OF 6,7-DIHYDRO-5H-IMIDAZO[1,2-a]IMIDAZOLE-3-CARBOXYLIC ACID AMIDES BOEHRINGER INGELHEIM INT (DE) 2015-07-22 EP disclosed
US-7572924-B2 Pyrrole substituted 2-indolinone protein kinase inhibitors SUGEN, INC. (US) 2009-08-11 US disclosed
US-7320996-B2 Indolinone protein kinase inhibitors and cyclooxygenase inhibitors for use in combination therapy for the treatment of cancer SUGEN, INC (US) 2008-01-22 US disclosed
US-20070010569-A1 Pyrrole substituted 2-indolinone protein kinase inhibitors SUGEN, INC. & PHARMACIA & UPJOHN CO. 2007-01-11 US disclosed
US-7125905-B2 Pyrrole substituted 2-indolinone protein kinase inhibitors AGOURON PHARMACEUTICALS, INC. (US) 2006-10-24 US disclosed
US-20050176802-A1 Pyrrole substituted 2-indolinone protein kinase inhibitors SUGEN, INC. & PHARMACIA & UPJOHN CO. 2005-08-11 US disclosed
EP-1009738-B1 SUBSTITUTED OXINDOLE DERIVATIVES AS PROTEIN TYROSINE KINASE AND AS PROTEIN SERINE/THREONINE KINASE INHIBITORS GLAXO GROUP LTD (GB) 2004-05-19 EP disclosed
US-20040063773-A1 Pyrrole substituted 2-indolinone protein kinase inhibitors SUGEN, INC. & PHARMACIA & UPJOHN CO. 2004-04-01 US disclosed
US-20030216410-A1 Combination therapy for the treatment of cancer PHARMACIA CORPORATION 2003-11-20 US disclosed
US-6573293-B2 Pyrrole substituted 2-indolinone protein kinase inhibitors SUGEN, INC. 2003-06-03 US disclosed
EP-1023293-A4 ARYLOXYMETHYL CARBAPENEM ANTIBACTERIALS MERCK & CO INC (US) 2002-11-20 EP disclosed
US-20020156292-A1 Pyrrole substituted 2-indolinone protein kinase inhibitors PHARMACIA & UPJOHN COMPANY LLC 2002-10-24 US disclosed
US-6277843-B1 USEFUL AGAINST GRAMPOSITIVE BACTERIA, I.E., METHICILLIN RESISTANT STAPHYLOCOCCUS AUREUS, WITH REDUCED SIDE EFFECTS MERCK & CO., INC. 2001-08-21 US disclosed
EP-1023293-A1 ARYLOXYMETHYL CARBAPENEM ANTIBACTERIALS Merck & Co., Inc. (US) 2000-08-02 EP disclosed
WO-1999014217-A1 ARYLOXYMETHYL CARBAPENEM ANTIBACTERIALS MERCK & CO., INC. (US) 1999-03-25 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 (6 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-20030216410-A1 Combination therapy for the treatment of cancer PTGS2, PTGES2, PTGFR TBXAS1 779/4885ALDH1A1 918/4885EGLN3 732/4885
US-20050176802-A1 Pyrrole substituted 2-indolinone protein kinase inhibitors PDPK1, MAP3K20, PLK2 TBXAS1 1776/4885ALDH1A1 2793/4885EGLN3 2898/4885
US-20070010569-A1 Pyrrole substituted 2-indolinone protein kinase inhibitors PDPK1, PLK2, PNCK TBXAS1 1824/4885ALDH1A1 2848/4885EGLN3 2874/4885
US-20030004351-A1 Substituted oxindole derivatives as protein tyrosine kinase and as protein serine/threonine kinase inhibitors CDK2, CDK1, CCNI TBXAS1 1166/4885ALDH1A1 3136/4885EGLN3 1024/4885
US-20040063773-A1 Pyrrole substituted 2-indolinone protein kinase inhibitors PDPK1, MAP3K20, PLK2 TBXAS1 1776/4885ALDH1A1 2793/4885EGLN3 2898/4885
US-20020156292-A1 Pyrrole substituted 2-indolinone protein kinase inhibitors PDPK1, MAP3K20, PLK2 TBXAS1 1776/4885ALDH1A1 2793/4885EGLN3 2898/4885

“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.