SCHEMBL16376281

SCHEMBL16376281

CC(=O)c1cc2c(C)nc(C)cn2n1

nearest known ligand 0.36

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.36
CYP1A2 P05177 1/20 0.33
SMPD3 Q9NY59 1/20 0.33
LMNA P02545 1/20 0.33
ALDH1A1 P00352 2/20 0.32
HPGD P15428 1/20 0.32
POLB P06746 1/20 0.31
KMT2A Q03164 1/20 0.31
KDM4E B2RXH2 1/20 0.30
HSD17B10 Q99714 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
SCHEMBL22445908 0.87 APOBEC3A (0.41) SMN1; SMN2ALDH1A1POLBKMT2AKDM4E
SCHEMBL16376269 0.85 CYP1A2 (0.33) SMN1; SMN2CYP1A2SMPD3LMNAALDH1A1
SCHEMBL16376282 0.84 SMN1; SMN2 (0.37) SMN1; SMN2CYP1A2SMPD3LMNAALDH1A1
SCHEMBL16376293 0.81 ALDH1A1 (0.35) SMN1; SMN2CYP1A2SMPD3LMNAALDH1A1
SCHEMBL15175582 0.80 CYP1A2 (0.44) CYP1A2LMNAALDH1A1HPGDPOLB
SCHEMBL31497245 0.77 SMPD3 (0.40) SMN1; SMN2CYP1A2SMPD3LMNAALDH1A1
SCHEMBL24661725 0.75 COMT (0.31) SMPD3ALDH1A1HPGDHSD17B10
SCHEMBL15176336 0.74 ALDH1A1 (0.34) ALDH1A1KDM4E
SCHEMBL15068471 0.72
SCHEMBL23293866 0.72 POLB (0.32) POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180105526-A1 COMPOUNDS FOR TREATING SPINAL MUSCULAR ATROPHY PTC THERAPEUTICS INC (US) 2018-04-19 US disclosed
US-9879007-B2 Compounds for treating spinal muscular atrophy PTC THERAPEUTICS, INC. (US) 2018-01-30 US disclosed
US-20180024115-A9 SCREENING METHOD HOFFMANN-LA ROCHE INC. (US) 2018-01-25 US disclosed
US-20170241983-A1 SCREENING METHOD HOFFMANN-LA ROCHE INC. (US) 2017-08-24 US disclosed
US-20170129885-A1 COMPOUNDS FOR TREATING SPINAL MUSCULAR ATROPHY HOFFMANN-LA ROCHE INC. 2017-05-11 US disclosed
US-9586955-B2 Compounds for treating spinal muscular atrophy PTC THERAPEUTICS, INC. (US) 2017-03-07 US disclosed
US-20150005289-A1 COMPOUNDS FOR TREATING SPINAL MUSCULAR ATROPHY HOFFMANN-LA ROCHE INC. 2015-01-01 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 (5 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-20150005289-A1 COMPOUNDS FOR TREATING SPINAL MUSCULAR ATROPHY SMN1; SMN2, CPT1B, GYS1 SMN1; SMN2 1/4885CYP1A2 4663/4885SMPD3 613/4885
US-20180105526-A1 COMPOUNDS FOR TREATING SPINAL MUSCULAR ATROPHY SMN1; SMN2, CPT1B, GYS1 SMN1; SMN2 1/4885CYP1A2 4663/4885SMPD3 613/4885
US-20180024115-A9 SCREENING METHOD TP53, KLK3, BRCA1 SMN1; SMN2 4041/4885CYP1A2 1350/4885SMPD3 636/4885
US-20170129885-A1 COMPOUNDS FOR TREATING SPINAL MUSCULAR ATROPHY SMN1; SMN2, CPT1B, GYS1 SMN1; SMN2 1/4885CYP1A2 4663/4885SMPD3 613/4885
US-20170241983-A1 SCREENING METHOD TP53, KLK3, BRCA1 SMN1; SMN2 4041/4885CYP1A2 1350/4885SMPD3 636/4885

“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.