Sugi Predict

Sugi Predict / Compounds / SCHEMBL713041

SCHEMBL713041

SCHEMBL713041

CC(C)Oc1cn[c]nc1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A3 P47895 1/20 0.35
▸ KMT2A Q03164 1/20 0.34
▸ PARP10 Q53GL7 1/20 0.33
▸ ALDH1A1 P00352 2/20 0.32
▸ POLB P06746 1/20 0.31
▸ GABRA1 P14867 1/20 0.31
▸ GABRG2 P18507 1/20 0.31
▸ GABRB3 P28472 1/20 0.31
▸ GABRA5 P31644 1/20 0.31
▸ GABRA3 P34903 1/20 0.31
▸ GLA P06280 1/20 0.31
▸ CHRNB2 P17787 1/20 0.30
▸ CHRNA4 P43681 1/20 0.30
▸ SYK P43405 1/20 0.30
▸ PDE3B Q13370 1/20 0.30
▸ PDE3A Q14432 1/20 0.30
▸ LMNA P02545 1/20 0.30
▸ TP53 P04637 1/20 0.30
▸ MAPK1 P28482 1/20 0.30
▸ NOTUM Q6P988 1/20 0.30

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
SCHEMBL15549158 0.75 DRD1 (0.32) KMT2AALDH1A1LMNA
SCHEMBL534113 0.73 ALDH1A3 (0.35) ALDH1A3KMT2APARP10ALDH1A1POLB
SCHEMBL12896055 0.72 CHRNB2 (0.38) ALDH1A3KMT2APARP10ALDH1A1POLB
SCHEMBL450323 0.70 — —
SCHEMBL12896071 0.70 ALDH1A3 (0.35) ALDH1A3KMT2APARP10ALDH1A1SYK
Hydrochloric Acid SCHEMBL28162383 0.70 CHRNB2 (0.37) ALDH1A3KMT2APARP10ALDH1A1POLB
SCHEMBL24326416 0.68 ALDH1A3 (0.34) ALDH1A3KMT2APARP10ALDH1A1SYK
SCHEMBL18484467 0.68 KMT2A (0.38) ALDH1A3KMT2APARP10ALDH1A1POLB
SCHEMBL21097265 0.68 ALDH1A3 (0.34) ALDH1A3KMT2APARP10ALDH1A1POLB
SCHEMBL355299 0.68 MAP4K4 (0.38) ALDH1A3KMT2AALDH1A1SYKLMNA

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
EP-2261210-B1 3-SUBSTITUTED SULFONYL PIPERAZINE DERIVATIVE MSD KK (JP) 2014-10-22 — — EP claimed
US-8367698-B2 3-substituted sulfonyl piperidine derivative MSD K.K. (JP) 2013-02-05 — — US claimed
US-20120232109-A1 3-SUBSTITUTED SULFONYL PIPERIDINE DERIVATIVE NAGASE TSUYOSHI (JP) 2012-09-13 — — US claimed
US-8188280-B2 3-substituted sulfonyl piperidine derivative MSD K.K. (JP) 2012-05-29 — — US claimed
US-8124807-B2 Sulfonyl-substituted 6-membered ring derivative MSD K.K. (JP) 2012-02-28 — — US claimed
US-20100331360-A1 3-SUBSTITUTED SULFONYL PIPERIDINE DERIVATIVE MSD K.K. (JP) 2010-12-30 — — US claimed
EP-2261210-A1 3-SUBSTITUTED SULFONYL PIPERAZINE DERIVATIVE Banyu Pharmaceutical Co., Ltd. (JP) 2010-12-15 — — EP claimed
EP-2236494-A1 SULFONYL SUBSTITUTED 6-MEMBERED RING DERIVATIVE Banyu Pharmaceutical Co., Ltd. (JP) 2010-10-06 — — EP claimed
US-20100249147-A1 SULFONYL-SUBSTITUTED 6-MEMBERED RING DERIVATIVE MSD K.K. (JP) 2010-09-30 — — US claimed
EP-2261210-B1 3-SUBSTITUTED SULFONYL PIPERAZINE DERIVATIVE MSD KK (JP) 2014-10-22 — — EP disclosed
US-8367698-B2 3-substituted sulfonyl piperidine derivative MSD K.K. (JP) 2013-02-05 — — US disclosed
US-20120232109-A1 3-SUBSTITUTED SULFONYL PIPERIDINE DERIVATIVE NAGASE TSUYOSHI (JP) 2012-09-13 — — US disclosed
US-8188280-B2 3-substituted sulfonyl piperidine derivative MSD K.K. (JP) 2012-05-29 — — US disclosed
US-8124807-B2 Sulfonyl-substituted 6-membered ring derivative MSD K.K. (JP) 2012-02-28 — — US disclosed
EP-1544199-B1 NITROGENOUS CONDENSED-RING COMPOUND AND USE THEREOF AS HIV INTEGRASE INHIBITOR JAPAN TOBACCO INC (JP) 2008-10-15 — — EP disclosed
US-20080161311-A1 Nitrogen-containing fused ring compound and use thereof as HIV integrase inhibitor JAPAN TOBACCO INC. 2008-07-03 — — US disclosed
US-7211572-B2 Nitrogen-containing fused ring compound and use thereof as HIV integrase inhibitor JAPAN TOBACCO INC. (JP) 2007-05-01 — — US disclosed
US-20060052361-A1 Nitrogen-containing fused ring compound and use thereof as HIV integrase inhibitor JAPAN TOBACCO INC. 2006-03-09 — — US disclosed
EP-1544199-A1 NITROGENOUS CONDENSED-RING COMPOUND AND USE THEREOF AS HIV INTEGRASE INHIBITOR JAPAN TOBACCO INC. (JP) 2005-06-22 — — EP disclosed
US-20050054645-A1 Nitrogen-containing fused ring compound and use thereof as HIV integrase inhibitor JAPAN TOBACCO INC. (JP) 2005-03-10 — — 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-20050054645-A1 Nitrogen-containing fused ring compound and use thereof as HIV integrase inhibitor NNMT, PNP, DNTT ALDH1A3 3686/4885KMT2A 655/4885PARP10 181/4885
US-20100249147-A1 SULFONYL-SUBSTITUTED 6-MEMBERED RING DERIVATIVE CHRM2, CHRM3, CHRM1 ALDH1A3 540/4885KMT2A 1869/4885PARP10 3833/4885
US-20100331360-A1 3-SUBSTITUTED SULFONYL PIPERIDINE DERIVATIVE H1-3, H1-0, H1-2 ALDH1A3 722/4885KMT2A 869/4885PARP10 1940/4885
US-20060052361-A1 Nitrogen-containing fused ring compound and use thereof as HIV integrase inhibitor NNMT, PNP, DNTT ALDH1A3 3686/4885KMT2A 655/4885PARP10 181/4885
US-20080161311-A1 Nitrogen-containing fused ring compound and use thereof as HIV integrase inhibitor DNTT, PNP, NNMT ALDH1A3 3509/4885KMT2A 448/4885PARP10 273/4885
US-20120232109-A1 3-SUBSTITUTED SULFONYL PIPERIDINE DERIVATIVE H1-3, H1-0, H1-2 ALDH1A3 722/4885KMT2A 869/4885PARP10 1940/4885

“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.