Sugi Predict

Sugi Predict / Compounds / SCHEMBL1759274

SCHEMBL1759274

SCHEMBL1759274

COC(=O)c1ccc2[nH]nc(C#N)c2c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 3/20 0.47
▸ ALDH1A1 P00352 2/20 0.47
▸ HPGD P15428 2/20 0.47
▸ HSD17B10 Q99714 2/20 0.47
▸ NTRK1 P04629 1/20 0.46
▸ MEN1 O00255 4/20 0.45
▸ KMT2A Q03164 4/20 0.45
▸ MAP2K4 P45985 2/20 0.45
▸ NPC1 O15118 1/20 0.45
▸ RAB9A P51151 1/20 0.45
▸ STAT3 P40763 1/20 0.44
▸ HIF1A Q16665 1/20 0.44
▸ FLT3 P36888 1/20 0.44
▸ PSMB8 P28062 1/20 0.44
▸ KIF11 P52732 2/20 0.43
▸ ATM Q13315 2/20 0.43
▸ L3MBTL1 Q9Y468 1/20 0.43
▸ GPR84 Q9NQS5 1/20 0.42
▸ CREBBP Q92793 1/20 0.42
▸ GLA P06280 1/20 0.41

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
SCHEMBL2671233 0.89 MAP2K4 (0.51) KDM4EALDH1A1HPGDHSD17B10MEN1
SCHEMBL9952331 0.86 KDM4E (0.47) KDM4EALDH1A1HPGDHSD17B10MEN1
SCHEMBL18555394 0.85 HCRTR1 (0.53) KDM4EALDH1A1HPGDHSD17B10MEN1
SCHEMBL4403755 0.84 ACACB (0.43) NTRK1MEN1KMT2AMAP2K4KIF11
SCHEMBL1758985 0.82 MAP2K4 (0.47) KDM4EALDH1A1HPGDHSD17B10NTRK1
SCHEMBL4403097 0.81 ACACB (0.45) NTRK1MAP2K4ACACBACACATRPA1
SCHEMBL16929779 0.80 JAK2 (0.58) KDM4EALDH1A1HPGDHSD17B10MEN1
SCHEMBL1501529 0.80 KDM4E (0.55) KDM4EALDH1A1HPGDHSD17B10MEN1
SCHEMBL2671105 0.80 MAP2K4 (0.52) KDM4EALDH1A1HPGDHSD17B10MEN1
SCHEMBL23675227 0.78 MAP2K4 (0.54) KDM4EALDH1A1HPGDHSD17B10MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3134408-B1 FACTOR XIa INHIBITORS MERCK SHARP & DOHME (US) 2020-08-12 — — EP disclosed
US-10093683-B2 Factor XIa inhibitors MERCK SHARP & DOHME CORP. (US) 2018-10-09 — — US disclosed
EP-3134408-A1 FACTOR XIa INHIBITORS Merck Sharp & Dohme Corp. (US) 2017-03-01 — — EP disclosed
US-20170044183-A1 FACTOR XIa INHIBITORS MERCK SHARP & DOHME CORP. (US) 2017-02-16 — — US disclosed
EP-2699576-B1 PYRAZOLOSPIROKETONE DERIVATIVES FOR USE AS ACETYL-COA CARBOXYLASE INHIBITORS PFIZER (US) 2015-12-09 — — EP disclosed
EP-2952514-A1 N1/N2-LACTAM ACETYL-COA CARBOXYLASE INHIBITORS Pfizer Inc (US) 2015-12-09 — — EP disclosed
EP-2699576-B1 PYRAZOLOSPIROKETONE DERIVATIVES FOR USE AS ACETYL-COA CARBOXYLASE INHIBITORS PFIZER (US) 2015-12-09 — — EP disclosed
US-20150336958-A1 SUBSTITUTED ACETYL-COA CARBOXYLASE INHIBITORS PFIZER INC. (US) 2015-11-26 — — US disclosed
US-20150336958-A1 SUBSTITUTED ACETYL-COA CARBOXYLASE INHIBITORS PFIZER INC. (US) 2015-11-26 — — US disclosed
EP-2947082-A1 N1-PYRAZOLOSPIROKETONE ACETYL-CoA CARBOXYLASE INHIBITORS Pfizer Inc (US) 2015-11-25 — — EP disclosed
EP-2499139-A1 N1-PYRAZOLOSPIROKETONE ACETYL-COA CARBOXYLASE INHIBITORS Pfizer Inc. (US) 2012-09-19 — — EP disclosed
EP-2499140-A1 N2-PYRAZOLOSPIROKETONE ACETYL-COA CARBOXYLASE INHIBITORS Pfizer Inc. (US) 2012-09-19 — — EP disclosed
US-20120225900-A1 N2-PYRAZOLOSPIROKETONE ACETYL-COA CARBOXYLASE INHIBITORS PFIZER INC. (US) 2012-09-06 — — US disclosed
US-20120108619-A1 N1/N2-LACTAM ACETYL-COA CARBOXYLASE INHIBITORS PFIZER INC 2012-05-03 — — US disclosed
US-20120108619-A1 N1/N2-LACTAM ACETYL-COA CARBOXYLASE INHIBITORS PFIZER INC 2012-05-03 — — US disclosed
WO-2012056372-A1 N1/N2-LACTAM ACETYL-CoA CARBOXYLASE INHIBITORS PFIZER INC. (US) 2012-05-03 — — WO disclosed
WO-2012056372-A1 N1/N2-LACTAM ACETYL-CoA CARBOXYLASE INHIBITORS PFIZER INC. (US) 2012-05-03 — — WO disclosed
WO-2011058473-A1 N2-PYRAZOLOSPIROKETONE ACETYL-COA CARBOXYLASE INHIBITORS PFIZER INC. (US) 2011-05-19 — — WO disclosed
WO-2011058474-A1 N1-PYRAZOLOSPIROKETONE ACETYL-COA CARBOXYLASE INHIBITORS PFIZER INC. (US) 2011-05-19 — — WO disclosed
US-20110111046-A1 N1-Pyrazolospiroketone Acetyl-CoA Carboxylase Inhibitors PFIZER INC 2011-05-12 — — 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 (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-20150336958-A1 SUBSTITUTED ACETYL-COA CARBOXYLASE INHIBITORS ACACA, ACACB, ACAT1 KDM4E 1269/4885ALDH1A1 96/4885HPGD 654/4885
US-20110111046-A1 N1-Pyrazolospiroketone Acetyl-CoA Carboxylase Inhibitors ACACA, PC, ACACB KDM4E 1385/4885ALDH1A1 164/4885HPGD 588/4885
US-20170044183-A1 FACTOR XIa INHIBITORS F11, SERPINC1, TFPI KDM4E 454/4885ALDH1A1 3635/4885HPGD 1374/4885
US-10093683-B2 Factor XIa inhibitors F11, F12, SERPINC1 KDM4E 602/4885ALDH1A1 3478/4885HPGD 1390/4885
US-20120108619-A1 N1/N2-LACTAM ACETYL-COA CARBOXYLASE INHIBITORS ACACA, ACACB, COASY KDM4E 2570/4885ALDH1A1 158/4885HPGD 619/4885
US-20120225900-A1 N2-PYRAZOLOSPIROKETONE ACETYL-COA CARBOXYLASE INHIBITORS ACACA, PC, ACACB KDM4E 1533/4885ALDH1A1 259/4885HPGD 544/4885

“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.