SCHEMBL2680100

SCHEMBL2680100

O=[PH](Cl)c1ccc(Cl)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 2/20 0.47
▸ CYP2A6 P11509 1/20 0.47
▸ CES2 O00748 2/20 0.38
▸ CES1 P23141 2/20 0.38
▸ MAPK1 P28482 2/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ CYP3A4 P08684 1/20 0.38
▸ HSD17B10 Q99714 1/20 0.38
▸ IDO1 P14902 1/20 0.36
▸ TSHR P16473 2/20 0.36
▸ ALOX15 P16050 1/20 0.36
▸ CA1 P00915 3/20 0.35
▸ CA2 P00918 3/20 0.35
▸ CA12 O43570 1/20 0.35
▸ CA3 P07451 1/20 0.35
▸ CA4 P22748 1/20 0.35
▸ CA6 P23280 1/20 0.35
▸ CA5A P35218 1/20 0.35
▸ CA7 P43166 1/20 0.35
▸ CA9 Q16790 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
SCHEMBL1304995 0.79 LMNA (0.50) LMNACYP2A6CES2CES1MAPK1
SCHEMBL15304564 0.74 LMNA (0.44) LMNACYP2A6CES2CES1MAPK1
SCHEMBL28620290 0.74 LMNA (0.44) LMNACYP2A6CES2CES1MAPK1
SCHEMBL9490660 0.74 ACHE (0.44) LMNACYP2A6CES2CES1ALDH1A1
SCHEMBL4838271 0.73 — —
SCHEMBL10425733 0.72 LMNA (0.42) LMNACYP2A6CES2CES1MAPK1
SCHEMBL14246433 0.71 TSHR (0.47) ALDH1A1CYP3A4TSHR
SCHEMBL8742375 0.70 TSHR (0.48) LMNACYP2A6CES2CES1IDO1
SCHEMBL2154603 0.70 TSHR (0.48) LMNACYP2A6CES2CES1IDO1
SCHEMBL14246416 0.69 CA1 (0.52) LMNACYP2A6CES2CES1MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2875020-B1 PROCESS FOR THE PREPARATION OF A FUMARIC ACID SALT OF 9-[4-(3-CHLORO-2-FLUORO-PHENYLAMINO)-7-METHOXY- CHINAZOLIN-6-YLOXY]-1,4-DIAZA-SPIRO[5.5]UNDECAN-5-ONE BOEHRINGER INGELHEIM INT (DE) 2017-09-06 — — EP disclosed
US-9309228-B2 Fumaric acid salt of 9-[4-(3-chloro-2-fluoro-phenylamino)-7-methoxy-quinazolin-6-yloxy]-1,4-diaza-spiro[5.5]undecan-5-one, its use as a medicament and the preparation thereof BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2016-04-12 — — US disclosed
US-20140371226-A1 9-[4-(3-CHLORO-2-FLUORO-PHENYLAMINO)-7-METHOXY-QUINAZOLINE-6-YLOXY]-1,4-DIAZA-SPIRO[5.5]UNDECANE-5-ONE DIMALEATE, USE THEREOF AS A MEDICAMENT AND METHOD FOR THE PRODUCTION THEREOF BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-12-18 — — US disclosed
US-8906931-B1 9-[4-(3-chloro-2-fluoro-phenylamino-7-methoxy-quinazoline-6-yloxy]-1,4-diaza-spiro[5.5]undecane-5-one dimaleate, use thereof as a medicament and method for the production thereof BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-12-09 — — US disclosed
US-8853225-B2 9-[4-(3-chloro-2-fluoro-phenylamino)-7-methoxy-quinazoline-6-yloxy]-1,4-diaza-spiro[5.5] undecane-5-one dimaleate, use thereof as a medicament and method for the production thereof BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-10-07 — — US disclosed
US-20140024628-A1 FUMARIC ACID SALT OF 9-[4-(3-CHLORO-2-FLUORO-PHENYLAMINO)-7-METHOXY-QUINAZOLIN-6-YLOXY]-1,4-DIAZA-SPIRO[5.5]UNDECAN-5-ONE, ITS USE AS A MEDICAMENT AND THE PREPARATION THEREOF BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-01-23 — — US disclosed
US-20130030003-A1 9-[4-(3-CHLORO-2-FLUORO-PHENYLAMINO)-7-METHOXY-QUINAZOLINE-6-YLOXY]-1,4-DIAZA-SPIRO[5.5]UNDECANE-5-ONE DIMALEATE, USE THEREOF AS A MEDICAMENT AND METHOD FOR THE PRODUCTION THEREOF BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-01-31 — — US disclosed
US-8263768-B2 Process for the stereoselective preparation of bicyclic heterocycles BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-09-11 — — US disclosed
US-20120116080-A1 PROCESS FOR THE STEREOSELECTIVE PREPARATION OF BICYCLIC HETEROCYCLES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-05-10 — — US disclosed
US-7439401-B2 Process for preparing acylphosphanes and derivatives thereof CIBA SPECIALTY CHEMICALS CORPORATION (US) 2008-10-21 — — US disclosed
US-20060247436-A1 Process for preparing acylphosphanes and derivatives thereof IGM GROUP B.V. (NL) 2006-11-02 — — US disclosed
EP-1648908-B1 PROCESS FOR PREPARING ACYLPHOSPHANES AND DERIVATIVES THEREOF CIBA SC HOLDING AG (CH) 2006-10-18 — — EP disclosed
EP-1648908-A1 PROCESS FOR PREPARING ACYLPHOSPHANES AND DERIVATIVES THEREOF Ciba SC Holding AG (CH) 2006-04-26 — — EP disclosed
WO-2005014605-A1 PROCESS FOR PREPARING ACYLPHOSPHANES AND DERIVATIVES THEREOF CIBA SPECIALTY CHEMICALS HOLDING INC. (CH) 2005-02-17 — — 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 (5 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-20060247436-A1 Process for preparing acylphosphanes and derivatives thereof PHOSPHO1, PLA2G2C, SGMS2 LMNA 705/4885CYP2A6 1151/4885CES2 923/4885
US-20130030003-A1 9-[4-(3-CHLORO-2-FLUORO-PHENYLAMINO)-7-METHOXY-QUINAZOLINE-6-YLOXY]-1,4-DIAZA-SPIRO[5.5]UNDECANE-5-ONE DIMALEATE, USE THEREOF AS A MEDICAMENT AND METHOD FOR THE PRODUCTION THEREOF GRK5, KLK3, GRK3 LMNA 3096/4885CYP2A6 1066/4885CES2 3583/4885
US-20120116080-A1 PROCESS FOR THE STEREOSELECTIVE PREPARATION OF BICYCLIC HETEROCYCLES BPHL, CYP11B1, CYP11B2 LMNA 2959/4885CYP2A6 1417/4885CES2 4791/4885
US-20140371226-A1 9-[4-(3-CHLORO-2-FLUORO-PHENYLAMINO)-7-METHOXY-QUINAZOLINE-6-YLOXY]-1,4-DIAZA-SPIRO[5.5]UNDECANE-5-ONE DIMALEATE, USE THEREOF AS A MEDICAMENT AND METHOD FOR THE PRODUCTION THEREOF GRK5, KLK3, GRK3 LMNA 3096/4885CYP2A6 1066/4885CES2 3583/4885
US-20140024628-A1 FUMARIC ACID SALT OF 9-[4-(3-CHLORO-2-FLUORO-PHENYLAMINO)-7-METHOXY-QUINAZOLIN-6-YLOXY]-1,4-DIAZA-SPIRO[5.5]UNDECAN-5-ONE, ITS USE AS A MEDICAMENT AND THE PREPARATION THEREOF FGFR1, FH, PKD1 LMNA 2985/4885CYP2A6 1295/4885CES2 4262/4885

“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.

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