SCHEMBL2990640

SCHEMBL2990640

CNS(=O)(=O)c1cncn1C

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK1 P23458 1/20 0.33
SMN1; SMN2 Q16637 2/20 0.32
GAA P10253 1/20 0.32
FTO Q9C0B1 1/20 0.32
CA12 O43570 1/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
CA3 P07451 1/20 0.31
CA4 P22748 1/20 0.31
CA6 P23280 1/20 0.31
CA5A P35218 1/20 0.31
CA7 P43166 1/20 0.31
CA9 Q16790 1/20 0.31
CA13 Q8N1Q1 1/20 0.31
CA14 Q9ULX7 1/20 0.31
CA5B Q9Y2D0 1/20 0.31
NMT1 P30419 1/20 0.31
PIK3CD O00329 1/20 0.31
PIK3CG P48736 1/20 0.31
LMNA P02545 1/20 0.31

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
SCHEMBL13006988 0.77 IDO1 (0.35) IDO1
SCHEMBL2702083 0.77 IDO1 (0.36) JAK1IDO1
SCHEMBL7468382 0.75 IDO1 (0.35) CA12CA1CA2CA9CA14
Hydrochloric Acid SCHEMBL28261308 0.75 IDO1 (0.35) JAK1LMNAIDO1
SCHEMBL999067 0.75 IDO1 (0.33) IDO1
Hydrochloric Acid SCHEMBL4575262 0.73 IDO1 (0.33) IDO1
SCHEMBL26733304 0.73 KMT2A (0.40) SMN1; SMN2GAALMNAHTT
SCHEMBL20364511 0.72 IDO1 (0.30) IDO1
SCHEMBL27000110 0.70 ALDH1A1 (0.33) GAA
SCHEMBL7762912 0.68 KMT2A (0.47) SMN1; SMN2CA1CA2HTT

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-2057115-B9 4-SUBSTITUTED PHENOXYPHENYLACETIC ACID DERIVATIVES ARRAY BIOPHARMA INC (US) 2012-12-26 EP claimed
EP-2057115-B1 4-SUBSTITUTED PHENOXYPHENYLACETIC ACID DERIVATIVES ARRAY BIOPHARMA INC (US) 2012-10-03 EP claimed
US-8183289-B2 4-substituted phenoxyphenylacetic acid derivatives ARRAY BIOPHARMA INC. (US) 2012-05-22 US claimed
US-20100173955-A1 4-SUBSTITUTED PHENOXYPHENYLACETIC ACID DERIVATIVES ARRAY BIOPHARMA INC. (US) 2010-07-08 US claimed
US-8492437-B2 4-substituted phenoxyphenylacetic acid derivatives ARRAY BIOPHARMA INC. (US) 2013-07-23 US disclosed
EP-2057115-B9 4-SUBSTITUTED PHENOXYPHENYLACETIC ACID DERIVATIVES ARRAY BIOPHARMA INC (US) 2012-12-26 EP disclosed
EP-2057115-B1 4-SUBSTITUTED PHENOXYPHENYLACETIC ACID DERIVATIVES ARRAY BIOPHARMA INC (US) 2012-10-03 EP disclosed
US-20120202854-A1 4-SUBSTITUTED PHENOXYPHENYLACETIC ACID DERIVATIVES ARRAY BIOPHARMA INC. (US) 2012-08-09 US disclosed
US-8183289-B2 4-substituted phenoxyphenylacetic acid derivatives ARRAY BIOPHARMA INC. (US) 2012-05-22 US disclosed
US-20100173955-A1 4-SUBSTITUTED PHENOXYPHENYLACETIC ACID DERIVATIVES ARRAY BIOPHARMA INC. (US) 2010-07-08 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-20100173955-A1 4-SUBSTITUTED PHENOXYPHENYLACETIC ACID DERIVATIVES CD22, HRH2, CD74 JAK1 1320/4885SMN1; SMN2 3361/4885GAA 2523/4885
US-20120202854-A1 4-SUBSTITUTED PHENOXYPHENYLACETIC ACID DERIVATIVES CD22, HRH2, CD74 JAK1 1320/4885SMN1; SMN2 3361/4885GAA 2523/4885

“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.