SCHEMBL16376282

SCHEMBL16376282

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

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.37
ALDH1A1 P00352 1/20 0.37
MAPK1 P28482 1/20 0.37
POLB P06746 1/20 0.36
GRM5 P41594 1/20 0.32
PDE4B Q07343 1/20 0.32
CYP1A2 P05177 1/20 0.32
SMPD3 Q9NY59 1/20 0.32
KMT2A Q03164 3/20 0.31
MEN1 O00255 2/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 1/20 0.31
HSD17B10 Q99714 1/20 0.31
LMNA P02545 1/20 0.31
MAPT P10636 1/20 0.31
IRAK4 Q9NWZ3 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
RXFP1 Q9HBX9 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
SCHEMBL28529693 0.88 SMN1; SMN2 (0.44) SMN1; SMN2ALDH1A1MAPK1POLBKMT2A
SCHEMBL16376281 0.84 SMN1; SMN2 (0.36) SMN1; SMN2ALDH1A1POLBCYP1A2SMPD3
SCHEMBL16376269 0.83 CYP1A2 (0.33) SMN1; SMN2ALDH1A1POLBCYP1A2SMPD3
SCHEMBL16376293 0.82 ALDH1A1 (0.35) SMN1; SMN2ALDH1A1CYP1A2SMPD3KMT2A
SCHEMBL15175180 0.81 NOTUM (0.43) SMN1; SMN2ALDH1A1POLBCYP1A2LMNA
SCHEMBL24662921 0.78 SMN1; SMN2 (0.39) SMN1; SMN2ALDH1A1MAPK1POLBSMPD3
SCHEMBL12762528 0.74 GSK3B (0.45) SMN1; SMN2LMNA
SCHEMBL31497245 0.74 SMPD3 (0.40) SMN1; SMN2ALDH1A1POLBCYP1A2SMPD3
SCHEMBL30727779 0.73 SMN1; SMN2 (0.33) SMN1; SMN2ALDH1A1MAPK1KMT2ALMNA
SCHEMBL25359012 0.73 PDE4B (0.32) SMN1; SMN2ALDH1A1MAPK1POLBPDE4B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240067646-A1 COMPOUNDS FOR TREATING SPINAL MUSCULAR ATROPHY HOFFMANN-LA ROCHE INC. 2024-02-29 US disclosed
US-11753407-B2 Compounds for treating spinal muscular atrophy PTC THERAPEUTICS, INC. (US) 2023-09-12 US disclosed
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 (7 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-20240067646-A1 COMPOUNDS FOR TREATING SPINAL MUSCULAR ATROPHY SMN1; SMN2, CPT1B, GYS1 SMN1; SMN2 1/4885ALDH1A1 1088/4885MAPK1 3561/4885
US-20150005289-A1 COMPOUNDS FOR TREATING SPINAL MUSCULAR ATROPHY SMN1; SMN2, CPT1B, GYS1 SMN1; SMN2 1/4885ALDH1A1 1461/4885MAPK1 3878/4885
US-20180105526-A1 COMPOUNDS FOR TREATING SPINAL MUSCULAR ATROPHY SMN1; SMN2, CPT1B, GYS1 SMN1; SMN2 1/4885ALDH1A1 1461/4885MAPK1 3878/4885
US-20180024115-A9 SCREENING METHOD TP53, KLK3, BRCA1 SMN1; SMN2 4041/4885ALDH1A1 225/4885MAPK1 4586/4885
US-20170129885-A1 COMPOUNDS FOR TREATING SPINAL MUSCULAR ATROPHY SMN1; SMN2, CPT1B, GYS1 SMN1; SMN2 1/4885ALDH1A1 1461/4885MAPK1 3878/4885
US-20170241983-A1 SCREENING METHOD TP53, KLK3, BRCA1 SMN1; SMN2 4041/4885ALDH1A1 225/4885MAPK1 4586/4885
US-11753407-B2 Compounds for treating spinal muscular atrophy SMN1; SMN2, CPT1B, GYS1 SMN1; SMN2 1/4885ALDH1A1 1651/4885MAPK1 3432/4885

“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.