Sugi Predict

Sugi Predict / Compounds / SCHEMBL1151006

SCHEMBL1151006

SCHEMBL1151006

CN(C)S(=O)(=O)c1cc(F)ccc1CN

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 2/20 0.41
▸ KCNJ6 P48051 2/20 0.39
▸ KCNJ5 P48544 2/20 0.39
▸ KCNJ3 P48549 2/20 0.39
▸ GSTO1 P78417 2/20 0.38
▸ ALDH1A1 P00352 2/20 0.37
▸ ALOX5AP P20292 1/20 0.36
▸ FEN1 P39748 1/20 0.36
▸ MPO P05164 1/20 0.36
▸ TSHR P16473 1/20 0.35
▸ MAPK1 P28482 1/20 0.35
▸ RIPK1 Q13546 1/20 0.35
▸ RXFP1 Q9HBX9 1/20 0.35
▸ DPP4 P27487 1/20 0.35
▸ DPP8 Q6V1X1 1/20 0.35
▸ DPP9 Q86TI2 1/20 0.35
▸ DPP7 Q9UHL4 1/20 0.35
▸ PSEN1 P49768 1/20 0.35
▸ PSEN2 P49810 1/20 0.35
▸ APH1B Q8WW43 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
Hydrochloric Acid SCHEMBL3843831 0.98 KDM4E (0.40) KDM4EKCNJ6KCNJ5KCNJ3GSTO1
SCHEMBL13512891 0.86 KDM4E (0.46) KDM4EKCNJ6KCNJ5KCNJ3GSTO1
Hydrochloric Acid SCHEMBL1262526 0.85 KDM4E (0.40) KDM4EKCNJ6KCNJ5KCNJ3GSTO1
SCHEMBL1151395 0.83 KDM4E (0.41) KDM4EKCNJ6KCNJ5KCNJ3GSTO1
SCHEMBL5124506 0.81 MAOA (0.39) KDM4EMPOLOXSLC6A4
SCHEMBL13243780 0.81 KDM4E (0.39) KDM4EKCNJ6KCNJ5KCNJ3GSTO1
SCHEMBL14101724 0.81 KCNJ6 (0.40) KDM4EKCNJ6KCNJ5KCNJ3GSTO1
SCHEMBL14072816 0.80 KCNJ6 (0.39) KDM4EKCNJ6KCNJ5KCNJ3GSTO1
SCHEMBL1222227 0.80 MMP1 (0.45) KDM4EKCNJ6KCNJ5KCNJ3TSHR
SCHEMBL1150358 0.80 ALDH1A1 (0.41) KDM4EKCNJ6KCNJ5KCNJ3GSTO1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2291377-B1 IMIDAZOPYRIMIDINONES AND USES THEREOF AVEXA LTD (AU) 2015-02-18 — — EP disclosed
US-8431581-B2 Imidazopyrimidines and uses thereof AVEXA LIMITED (AU) 2013-04-30 — — US disclosed
US-8431581-B2 Imidazopyrimidines and uses thereof AVEXA LIMITED (AU) 2013-04-30 — — US disclosed
US-8431581-B2 Imidazopyrimidines and uses thereof AVEXA LIMITED (AU) 2013-04-30 — — US disclosed
US-8039458-B2 HIV integrase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2011-10-18 — — US disclosed
US-8039458-B2 HIV integrase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2011-10-18 — — US disclosed
US-8039458-B2 HIV integrase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2011-10-18 — — US disclosed
EP-2291377-A1 IMIDAZOPYRIMIDINONES AND USES THEREOF Avexa Limited (AU) 2011-03-09 — — EP disclosed
US-20110028487-A1 IMIDAZOPYRIMIDINES AND USES THEREOF AVEXA LIMITED (AU) 2011-02-03 — — US disclosed
US-20110028487-A1 IMIDAZOPYRIMIDINES AND USES THEREOF AVEXA LIMITED (AU) 2011-02-03 — — US disclosed
US-7157447-B2 Bicyclic heterocycles as HIV integrase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2007-01-02 — — US disclosed
US-20060276466-A1 Bicyclic heterocycles as HIV integrase inhibitors NAIDU B N 2006-12-07 — — US disclosed
US-20060199956-A1 Bicyclic heterocycles as HIV integrase inhibitors BRISTOL-MYERS SQUIBB COMPANY 2006-09-07 — — US disclosed
WO-2005118593-A1 BICYCLIC HETEROCYCLES AS HIV INTEGRASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2005-12-15 — — WO disclosed
US-20050267105-A1 Bicyclic heterocycles as HIV integrase inhibitors BRISTOL-MYERS SQUIBB COMPANY 2005-12-01 — — US disclosed
US-20050176718-A1 Aza- and polyaza-naphthalenyl carboxamides useful as HIV integrase inhibitors ANTHONY NEVILLE J (US) 2005-08-11 — — US disclosed
US-6921759-B2 Aza- and polyaza-naphthalenyl carboxamides useful as HIV integrase inhibitors MERCK & CO., INC. (US) 2005-07-26 — — US disclosed
EP-1326865-A2 AZA- AND POLYAZA-NAPHTHALENYL CARBOXAMIDES USEFUL AS HIV INTEGRASE INHIBITORS Merck & Co., Inc. (US) 2003-07-16 — — EP disclosed
US-20030055071-A1 Aza- and polyaza-naphthalenyl carboxamides useful as HIV integrase inhibitors MERCK SHARP & DOHME CORP. 2003-03-20 — — US disclosed
WO-2002030930-A2 AZA- AND POLYAZA-NAPHTHALENYL CARBOXAMIDES USEFUL AS HIV INTEGRASE INHIBITORS MERCK & CO., INC. (US) 2002-04-18 — — 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-20110028487-A1 IMIDAZOPYRIMIDINES AND USES THEREOF TPMT, DPYD, IMPDH1 KDM4E 1918/4885KCNJ6 2117/4885KCNJ5 1567/4885
US-20030055071-A1 Aza- and polyaza-naphthalenyl carboxamides useful as HIV integrase inhibitors POLI, DUT, NAAA KDM4E 288/4885KCNJ6 4179/4885KCNJ5 3689/4885
US-20050176718-A1 Aza- and polyaza-naphthalenyl carboxamides useful as HIV integrase inhibitors POLI, DUT, NAAA KDM4E 288/4885KCNJ6 4179/4885KCNJ5 3689/4885
US-20060199956-A1 Bicyclic heterocycles as HIV integrase inhibitors CCNI, TYMP, IMPDH1 KDM4E 886/4885KCNJ6 2333/4885KCNJ5 1475/4885
US-20060276466-A1 Bicyclic heterocycles as HIV integrase inhibitors CCNI, TYMP, IMPDH1 KDM4E 886/4885KCNJ6 2333/4885KCNJ5 1475/4885
US-20050267105-A1 Bicyclic heterocycles as HIV integrase inhibitors CCNI, TYMP, IMPDH1 KDM4E 886/4885KCNJ6 2333/4885KCNJ5 1475/4885

“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.