SCHEMBL18339403

SCHEMBL18339403

NC(=O)c1cncc(C#Cc2cccc(N)c2)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IKBKB O14920 3/20 0.46
FFAR1 O14842 1/20 0.45
GRM5 P41594 2/20 0.44
MAPT P10636 2/20 0.42
PDGFRB P09619 2/20 0.41
KDR P35968 2/20 0.41
SIRT2 Q8IXJ6 6/20 0.40
SIRT1 Q96EB6 6/20 0.40
SIRT3 Q9NTG7 6/20 0.40
F7 P08709 1/20 0.40
F3 P13726 1/20 0.40
SARM1 Q6SZW1 1/20 0.40
SIRT6 Q8N6T7 1/20 0.40
SIRT5 Q9NXA8 1/20 0.40
SIRT4 Q9Y6E7 1/20 0.40
CSNK2A2 P19784 1/20 0.39
CSNK2B P67870 1/20 0.39
CSNK2A1 P68400 1/20 0.39
PIK3CA P42336 1/20 0.39
MTOR P42345 1/20 0.39

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
SCHEMBL14906245 0.88 KDM4E (0.51) IKBKBFFAR1MAPTPDGFRBKDR
SCHEMBL1479638 0.84 GRM5 (0.56) GRM5MAPTSIRT2SIRT1SIRT3
SCHEMBL16782152 0.83 ATM (0.47) IKBKBFFAR1GRM5MAPTPDGFRB
Hydrochloric Acid SCHEMBL1476861 0.83 GRM5 (0.55) GRM5MAPTSIRT2SIRT1SIRT3
SCHEMBL18340664 0.81 TSHR (0.56) FFAR1MAPTSIRT2SIRT1SIRT3
SCHEMBL16782072 0.80 KDR (0.64) PDGFRBKDR
SCHEMBL16782074 0.79 KDR (0.44) FFAR1MAPTPDGFRBKDR
SCHEMBL22384748 0.79 KDR (0.45) IKBKBFFAR1GRM5PDGFRBKDR
SCHEMBL1028239 0.76 MAPT (0.45) IKBKBFFAR1GRM5MAPTPDGFRB
SCHEMBL18339878 0.76 IKBKB (0.60) IKBKBMAPTPDGFRBKDRSIRT2

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3753935-A1 SUBSTITUTED DIALKYL(OXIDO)-LAMBDA4-SULFANYLIDENE NICOTINAMIDE DERIVATIVES AS KINASE INHIBITORS ALLERGAN, INC. (US) 2020-12-23 EP disclosed
EP-3080105-B1 SUBSTITUTED DIALKYL(OXIDO)-LAMBDA4-SULFANYLIDENE NICOTINAMIDE DERIVATIVES AS KINASE INHIBITORS ALLERGAN INC (US) 2020-09-02 EP disclosed
US-20180194731-A1 THERAPEUTIC COMPOUNDS REGENTS OF THE UNIVERSITY OF MINNESOTA (US) 2018-07-12 US disclosed
US-20180194731-A1 THERAPEUTIC COMPOUNDS REGENTS OF THE UNIVERSITY OF MINNESOTA (US) 2018-07-12 US disclosed
US-20180194731-A1 THERAPEUTIC COMPOUNDS REGENTS OF THE UNIVERSITY OF MINNESOTA (US) 2018-07-12 US disclosed
US-9951019-B2 Therapeutic compounds REGENTS OF THE UNIVERSITY OF MINNESOTA (US) 2018-04-24 US disclosed
US-9951019-B2 Therapeutic compounds REGENTS OF THE UNIVERSITY OF MINNESOTA (US) 2018-04-24 US disclosed
US-9951019-B2 Therapeutic compounds REGENTS OF THE UNIVERSITY OF MINNESOTA (US) 2018-04-24 US disclosed
US-20160376238-A1 THERAPEUTIC COMPOUNDS REGENTS OF THE UNIVERSITY OF MINNESOTA 2016-12-29 US disclosed
US-20160376238-A1 THERAPEUTIC COMPOUNDS REGENTS OF THE UNIVERSITY OF MINNESOTA 2016-12-29 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 (2 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-20160376238-A1 THERAPEUTIC COMPOUNDS SIRT2, SIRT1, SIRT3 IKBKB 1126/4885FFAR1 2698/4885GRM5 4006/4885
US-20180194731-A1 THERAPEUTIC COMPOUNDS SIRT2, SIRT1, SIRT3 IKBKB 1126/4885FFAR1 2698/4885GRM5 4006/4885

“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.