SCHEMBL16376293

SCHEMBL16376293

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

nearest known ligand 0.35

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.35
NPC1 O15118 1/20 0.35
TP53 P04637 1/20 0.35
ALOX15 P16050 1/20 0.35
RAB9A P51151 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
KMT2A Q03164 1/20 0.32
IRAK4 Q9NWZ3 1/20 0.31
CYP1A2 P05177 1/20 0.31
SMPD3 Q9NY59 1/20 0.30
KDM4E B2RXH2 1/20 0.30
LMNA P02545 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
SCHEMBL16376282 0.82 SMN1; SMN2 (0.37) ALDH1A1SMN1; SMN2KMT2AIRAK4CYP1A2
SCHEMBL16376281 0.81 SMN1; SMN2 (0.36) ALDH1A1SMN1; SMN2KMT2ACYP1A2SMPD3
SCHEMBL16376269 0.80 CYP1A2 (0.33) ALDH1A1SMN1; SMN2CYP1A2SMPD3LMNA
SCHEMBL28529693 0.73 SMN1; SMN2 (0.44) ALDH1A1SMN1; SMN2KMT2AKDM4E
SCHEMBL22445908 0.72 APOBEC3A (0.41) ALDH1A1ALOX15SMN1; SMN2KMT2AKDM4E
SCHEMBL31497245 0.72 SMPD3 (0.40) ALDH1A1NPC1RAB9ASMN1; SMN2CYP1A2
SCHEMBL28524393 0.71 APOBEC3A (0.41) ALDH1A1ALOX15RAB9ASMN1; SMN2KMT2A
SCHEMBL28527557 0.68 KCNH2 (0.41) ALDH1A1NPC1RAB9AKMT2AKDM4E
SCHEMBL31001828 0.67 DYRK1A (0.47) NPC1RAB9AKMT2AKDM4ELMNA
SCHEMBL23254467 0.64 KCNH2 (0.38) ALDH1A1NPSR1KMT2AKDM4ELMNA

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 5 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-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 (4 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 ALDH1A1 1088/4885NPC1 1156/4885TP53 4877/4885
US-20150005289-A1 COMPOUNDS FOR TREATING SPINAL MUSCULAR ATROPHY SMN1; SMN2, CPT1B, GYS1 ALDH1A1 1461/4885NPC1 975/4885TP53 4855/4885
US-20180105526-A1 COMPOUNDS FOR TREATING SPINAL MUSCULAR ATROPHY SMN1; SMN2, CPT1B, GYS1 ALDH1A1 1461/4885NPC1 975/4885TP53 4855/4885
US-11753407-B2 Compounds for treating spinal muscular atrophy SMN1; SMN2, CPT1B, GYS1 ALDH1A1 1651/4885NPC1 2355/4885TP53 4851/4885

“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.