Sugi Predict

Sugi Predict / Compounds / SCHEMBL3376769

SCHEMBL3376769

SCHEMBL3376769

NC(=O)c1ccc(I)cn1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 1/20 0.53
▸ SIRT6 Q8N6T7 2/20 0.45
▸ ADORA3 P0DMS8 1/20 0.42
▸ TSHR P16473 1/20 0.42
▸ MC4R P32245 1/20 0.42
▸ ADRA1A P35348 1/20 0.42
▸ MC3R P41968 1/20 0.42
▸ VNN1 O95497 1/20 0.41
▸ LCK P06239 1/20 0.40
▸ NAMPT P43490 1/20 0.39
▸ NNMT P40261 2/20 0.38
▸ GSK3B P49841 1/20 0.38
▸ P4HTM Q9NXG6 2/20 0.38
▸ P4HA1 P13674 1/20 0.38
▸ MIF P14174 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ KDM4E B2RXH2 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ APP P05067 2/20 0.36
▸ PDE4A P27815 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
SCHEMBL31092016 1.00 KMT2A (0.53) KMT2ASIRT6ADORA3TSHRMC4R
SCHEMBL3630126 0.80 P4HTM (0.59) KMT2ATSHRP4HTMP4HA1MIF
SCHEMBL13664453 0.78 ALDH1A1 (0.47) KMT2ATSHRP4HTMP4HA1MIF
SCHEMBL15149676 0.78 PRMT1 (0.45) KMT2A
SCHEMBL4768283 0.77 KMT2A (0.57) KMT2ASIRT6ADORA3TSHRMC4R
SCHEMBL978974 0.76 NNMT (0.63) KMT2ASIRT6VNN1NNMTP4HTM
SCHEMBL3163574 0.76 KMT2A (0.55) KMT2ASIRT6ADORA3TSHRMC4R
SCHEMBL1831265 0.76 KMT2A (0.55) KMT2ASIRT6ADORA3TSHRMC4R
SCHEMBL20254702 0.75 SLC22A2 (0.33) KMT2A
SCHEMBL171039 0.74 KMT2A (0.53) KMT2ASIRT6ADORA3TSHRMC4R

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 33 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
US-20080153809-A1 NOVEL AMIDES USEFUL FOR TREATING PAIN ABBOTT LABORATORIES (US) 2008-06-26 — — US claimed
US-7348343-B2 Amides useful for treating pain ABBOTT LABORATORIES INC. (US) 2008-03-25 — — US claimed
JP-2007523865-A — — 2007-08-23 — — JP claimed
US-20070010557-A1 Novel amides useful for treating pain ABBVIE INC. 2007-01-11 — — US claimed
EP-1646621-A2 NOVEL AZAHETEROCYCLIC AMIDES USEFUL FOR TREATING PAIN Abbott Laboratories (US) 2006-04-19 — — EP claimed
US-20050080095-A1 administering a therapeuitcally effective amount of 3'-(trifluoromethyl)-N-{4-[(trifluoromethyl)sulfonyl]phenyl}-3,6-dihydro-2H-1,2'-bipyridine-4-carboxamide; antagonists of vanilloid receptor subtype I ABBVIE INC. 2005-04-14 — — US claimed
WO-2005007642-A2 NOVEL AZAHETEROCYCLIC AMIDES USEFUL FOR TREATING PAIN ABBOTT LABORATORIES (US) 2005-01-27 — — WO 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
WO-2018103688-A1 IMIDAZO [1,5-A] PYRAZINE DERIVATIVES AS PI3Kdelta INHIBITORS BEIGENE, LTD. (KY) 2018-06-14 — — WO 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
US-7129235-B2 Amides useful for treating pain ABBOTT LABORATORIES (US) 2006-10-31 — — US disclosed
EP-1646621-A2 NOVEL AZAHETEROCYCLIC AMIDES USEFUL FOR TREATING PAIN Abbott Laboratories (US) 2006-04-19 — — EP disclosed
US-20050080095-A1 administering a therapeuitcally effective amount of 3'-(trifluoromethyl)-N-{4-[(trifluoromethyl)sulfonyl]phenyl}-3,6-dihydro-2H-1,2'-bipyridine-4-carboxamide; antagonists of vanilloid receptor subtype I ABBVIE INC. 2005-04-14 — — US disclosed
WO-2005007642-A2 NOVEL AZAHETEROCYCLIC AMIDES USEFUL FOR TREATING PAIN ABBOTT LABORATORIES (US) 2005-01-27 — — WO disclosed
WO-2003087071-A1 SULFONAMIDE DERIVATIVES CELLTECH R & D LIMITED (GB) 2003-10-23 — — 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-20100152190-A1 Substituted Pyrrolidine-2-Carboxamides ARG2, CCNY, PYCR1 KMT2A 703/4885SIRT6 467/4885ADORA3 1270/4885
US-20050080095-A1 administering a therapeuitcally effective amount of 3'-(trifluoromethyl)-N-{4-[(trifluoromethyl)sulfonyl]phenyl}-3,6-dihydro-2H-1,2'-bipyridine-4-carboxamide; antagonists of vanilloid receptor subtype I TRPV1, OPRL1, TRPV6 KMT2A 2331/4885SIRT6 988/4885ADORA3 99/4885
US-20100075948-A1 Substituted Pyrrolidine-2-Carboxamides ARG2, CCNY, PYCR1 KMT2A 703/4885SIRT6 467/4885ADORA3 1270/4885
US-20070010557-A1 Novel amides useful for treating pain OPRL1, PDE6B, PDE6G KMT2A 1665/4885SIRT6 775/4885ADORA3 59/4885
US-20080153809-A1 NOVEL AMIDES USEFUL FOR TREATING PAIN OPRL1, OPRK1, OPRD1 KMT2A 2575/4885SIRT6 734/4885ADORA3 81/4885

“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.