SCHEMBL2869068

SCHEMBL2869068

Cc1cc(C(N)=O)cc(C)c1I

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PARP1 P09874 5/20 0.43
▸ TSHR P16473 3/20 0.42
▸ BPTF Q12830 1/20 0.42
▸ CYP3A4 P08684 2/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ POLB P06746 1/20 0.37
▸ MAPT P10636 1/20 0.37
▸ CYP2C19 P33261 1/20 0.37
▸ RECQL P46063 1/20 0.37
▸ BLM P54132 1/20 0.37
▸ PMP22 Q01453 1/20 0.37
▸ HSD17B10 Q99714 1/20 0.37
▸ TDP1 Q9NUW8 1/20 0.37
▸ L3MBTL1 Q9Y468 1/20 0.37
▸ PARP10 Q53GL7 3/20 0.37
▸ LMNA P02545 2/20 0.37
▸ HTT P42858 2/20 0.37
▸ NNMT P40261 2/20 0.36
▸ APOBEC3A P31941 1/20 0.36
▸ APOBEC3G Q9HC16 1/20 0.36

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
SCHEMBL18471225 0.80 SMN1; SMN2 (0.49) PARP1TSHRCYP3A4SMN1; SMN2POLB
SCHEMBL10831613 0.80 PARP1 (0.46) PARP1TSHRCYP3A4SMN1; SMN2POLB
SCHEMBL3220166 0.78 CA1 (0.48) PARP1TSHRCYP3A4SMN1; SMN2MAPT
SCHEMBL1004660 0.78 PARP1 (0.50) PARP1TSHRCYP3A4SMN1; SMN2POLB
SCHEMBL16384671 0.78 TPMT (0.58) TSHRSMN1; SMN2MAPTHSD17B10TDP1
SCHEMBL16769478 0.78 CA5A (0.48) SMN1; SMN2MAPTTDP1L3MBTL1LMNA
SCHEMBL1397262 0.78 POLB (0.50) PARP1TSHRCYP3A4SMN1; SMN2POLB
SCHEMBL1003411 0.76 PARP1 (0.43) PARP1TSHRCYP3A4SMN1; SMN2POLB
SCHEMBL1002938 0.76 CYP3A4 (0.48) PARP1TSHRCYP3A4SMN1; SMN2POLB
SCHEMBL16384672 0.76 TPMT (0.34) TSHRSMN1; SMN2MAPTTDP1HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8354444-B2 Substituted pyrrolidine-2-carboxamides HOFFMANN-LA ROCHE INC. (US) 2013-01-15 — — US claimed
EP-2534132-A1 SUBSTITUTED PYRROLIDINE-2-CARBOXAMIDES F. Hoffmann-La Roche AG (CH) 2012-12-19 — — EP claimed
US-20100152190-A1 Substituted Pyrrolidine-2-Carboxamides F. HOFFMANN-LA ROCHE AG (CH) 2010-06-17 — — US claimed
US-20100075948-A1 Substituted Pyrrolidine-2-Carboxamides DING QINGJIE 2010-03-25 — — US claimed
CN-107847600-B Combination therapy of anti-CD 20 antibodies with Bcl-2 inhibitors and MDM2 inhibitors 豪夫迈·罗氏有限公司 2021-09-03 — — CN disclosed
EP-3302549-B1 COMBINATION THERAPY OF AN ANTI CD20 ANTIBODY WITH A BCL-2 INHIBITOR AND A MDM2 INHIBITOR HOFFMANN LA ROCHE (CH) 2019-07-03 — — EP disclosed
EP-3302549-A1 COMBINATION THERAPY OF AN ANTI CD20 ANTIBODY WITH A BCL-2 INHIBITOR AND A MDM2 INHIBITOR H. Hoffnabb-La Roche Ag (CH) 2018-04-11 — — EP disclosed
EP-2362868-B1 PROCESS FOR THE PREPARATION OF PROTECTED L-ALANINE DERIVATIVES JANSSEN PHARMACEUTICA NV (BE) 2017-12-20 — — EP disclosed
CN-107382781-A The preparation method of L alanine derivatives through protection 詹森药业有限公司 2017-11-24 — — CN disclosed
US-9657351-B2 MRNA-based gene expression for personalizing patient cancer therapy with an MDM2 antagonist HOFFMAN-LA ROCHE INC. (US) 2017-05-23 — — US disclosed
CN-102264691-B Process for the preparation of protected l-alanine derivatives 詹森药业有限公司 2017-05-03 — — CN disclosed
EP-2534132-B1 SUBSTITUTED PYRROLIDINE-2-CARBOXAMIDES HOFFMANN LA ROCHE (CH) 2017-04-26 — — EP disclosed
US-8853445-B2 Process for the preparation of protected L-alanine derivatives JANSSEN PHARMACEUTICA, N.V. (BE) 2014-10-07 — — US disclosed
US-20140135525-A1 PROCESS FOR THE PREPARATION OF PROTECTED L-ALANINE DERIVATIVES JANSSEN PHARMACEUTICA, N.V. (BE) 2014-05-15 — — US disclosed
US-8710256-B2 Process for the preparation of protected L-alanine derivatives JANSSEN PHARMACEUTICA, N.V. (BE) 2014-04-29 — — US disclosed
US-8354444-B2 Substituted pyrrolidine-2-carboxamides HOFFMANN-LA ROCHE INC. (US) 2013-01-15 — — US disclosed
EP-2534132-A1 SUBSTITUTED PYRROLIDINE-2-CARBOXAMIDES F. Hoffmann-La Roche AG (CH) 2012-12-19 — — EP disclosed
US-20100152190-A1 Substituted Pyrrolidine-2-Carboxamides F. HOFFMANN-LA ROCHE AG (CH) 2010-06-17 — — US disclosed
US-20100145090-A1 PROCESS FOR THE PREPARATION OF PROTECTED L ALANINE DERIVATIVES JANSSEN PHARMACEUTICA, N.V. (BE) 2010-06-10 — — US disclosed
US-20100075948-A1 Substituted Pyrrolidine-2-Carboxamides DING QINGJIE 2010-03-25 — — 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-20140135525-A1 PROCESS FOR THE PREPARATION OF PROTECTED L-ALANINE DERIVATIVES OPRD1, OPRM1, OPRK1 PARP1 3921/4885TSHR 3338/4885BPTF 4787/4885
US-20100145090-A1 PROCESS FOR THE PREPARATION OF PROTECTED L ALANINE DERIVATIVES OPRD1, OPRM1, OPRK1 PARP1 4077/4885TSHR 3252/4885BPTF 4782/4885
US-20100152190-A1 Substituted Pyrrolidine-2-Carboxamides ARG2, CCNY, PYCR1 PARP1 25/4885TSHR 846/4885BPTF 3502/4885
US-20100075948-A1 Substituted Pyrrolidine-2-Carboxamides ARG2, CCNY, PYCR1 PARP1 25/4885TSHR 846/4885BPTF 3502/4885

“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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