SCHEMBL7018068

SCHEMBL7018068

O=c1ccnc2ccncn12

nearest known ligand 0.55

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 1/20 0.55
GRM5 P41594 1/20 0.39
ALDH1A1 P00352 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
HRH3 Q9Y5N1 1/20 0.30
GPR139 Q6DWJ6 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
SCHEMBL174735 0.71 ADORA3 (1.00) ADORA3GRM5ALDH1A1SMN1; SMN2
SCHEMBL15174581 0.71 ADORA3 (0.60) ADORA3GRM5ALDH1A1GPR139
Hydrochloric Acid SCHEMBL29784836 0.69 ADORA3 (0.58) ADORA3GRM5ALDH1A1GPR139
Hydrochloric Acid SCHEMBL5129999 0.69 ADORA3 (0.96) ADORA3GRM5ALDH1A1SMN1; SMN2
Hydrochloric Acid SCHEMBL10598992 0.69 ADORA3 (0.96) ADORA3GRM5ALDH1A1SMN1; SMN2
SCHEMBL16566714 0.67 CYP2A6 (0.35) ALDH1A1
SCHEMBL16376210 0.67 ADORA3 (0.33) ADORA3ALDH1A1SMN1; SMN2
SCHEMBL84743 0.67 TGFBR1 (0.35) GPR139
SCHEMBL3312349 0.66 TGFBR1 (0.39) ALDH1A1
SCHEMBL31251298 0.64 ADORA3 (0.47) ADORA3GRM5HRH3

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 21 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0733633-A1 Heterocyclic compounds, their production and use TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1996-09-25 EP claimed
WO-2025136898-A1 AGONISTS OF TREM2 ACTIVITY MERCK SHARP & DOHME LLC (US) 2025-06-26 WO disclosed
US-20240246995-A1 PYRIMIDINONE DERIVATIVE AND PREPARATION METHOD THEREFOR, PHARMACEUTICAL COMPOSITION, AND USE Shanghai Simr Biotechnology Co., Ltd. (CN) 2024-07-25 US disclosed
US-20240067646-A1 COMPOUNDS FOR TREATING SPINAL MUSCULAR ATROPHY HOFFMANN-LA ROCHE INC. 2024-02-29 US disclosed
EP-4324835-A1 PYRIMIDINONE DERIVATIVE AND PREPARATION METHOD THEREFOR, PHARMACEUTICAL COMPOSITION, AND USE Shanghai Simr Biotechnology Co., Ltd. (CN) 2024-02-21 EP disclosed
US-20230310651-A1 METHODS FOR MODULATING RNA SPLICING PTC THERAPEUTICS, INC. (US) 2023-10-05 US disclosed
US-11753407-B2 Compounds for treating spinal muscular atrophy PTC THERAPEUTICS, INC. (US) 2023-09-12 US disclosed
US-20230272367-A1 METHODS FOR MODULATING RNA SPLICING PTC THERAPEUTICS, INC. (US) 2023-08-31 US disclosed
US-11702646-B2 Methods for modulating RNA splicing PTC THERAPEUTICS, INC. (US) 2023-07-18 US disclosed
US-10662174-B2 BTK inhibitor HUBEI BIO-PHARMACEUTICAL INDUSTRIAL TECHNOLOGICAL INSTITUTE, INC. (CN) 2020-05-26 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
EP-3246317-A1 BTK INHIBITOR Hubei Bio-Pharmaceutical Industrial Technological Institute Inc. (CN) 2017-11-22 EP disclosed
US-20170313683-A1 BTK INHIBITOR HUBEI BIO-PHARMACEUTICAL INDUSTRIAL TECHNOLOGICAL INSTITUTE, INC. (CN) 2017-11-02 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-20170000794-A1 METHODS FOR MODULATING THE AMOUNT OF RNA TRANSCRIPTS PTC THERAPEUTICS, INC. 2017-01-05 US disclosed
US-20150005289-A1 COMPOUNDS FOR TREATING SPINAL MUSCULAR ATROPHY HOFFMANN-LA ROCHE INC. 2015-01-01 US disclosed
EP-0733633-B1 Heterocyclic compounds, their production and use TAKEDA CHEMICAL INDUSTRIES LTD (JP) 2003-05-28 EP disclosed
EP-0733633-A1 Heterocyclic compounds, their production and use TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1996-09-25 EP 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 (12 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 ADORA3 2909/4885GRM5 906/4885ALDH1A1 1088/4885
US-20150005289-A1 COMPOUNDS FOR TREATING SPINAL MUSCULAR ATROPHY SMN1; SMN2, CPT1B, GYS1 ADORA3 3003/4885GRM5 629/4885ALDH1A1 1461/4885
US-10662174-B2 BTK inhibitor BTK, SYK, LYN ADORA3 4647/4885GRM5 3996/4885ALDH1A1 4122/4885
US-20230272367-A1 METHODS FOR MODULATING RNA SPLICING RBM17, SNRPE, HNRNPM ADORA3 4274/4885GRM5 1635/4885ALDH1A1 3830/4885
US-20240246995-A1 PYRIMIDINONE DERIVATIVE AND PREPARATION METHOD THEREFOR, PHARMACEUTICAL COMPOSITION, AND USE PLA2G1B, LYPLAL1, PLA2G12B ADORA3 1226/4885GRM5 1329/4885ALDH1A1 812/4885
US-20180105526-A1 COMPOUNDS FOR TREATING SPINAL MUSCULAR ATROPHY SMN1; SMN2, CPT1B, GYS1 ADORA3 3003/4885GRM5 629/4885ALDH1A1 1461/4885
US-11702646-B2 Methods for modulating RNA splicing RBM17, SNRPE, HNRNPM ADORA3 4274/4885GRM5 1635/4885ALDH1A1 3830/4885
US-20170313683-A1 BTK INHIBITOR BTK, SYK, LYN ADORA3 4647/4885GRM5 3996/4885ALDH1A1 4122/4885
US-20170000794-A1 METHODS FOR MODULATING THE AMOUNT OF RNA TRANSCRIPTS RNMT, NSUN2, RNGTT ADORA3 4221/4885GRM5 3344/4885ALDH1A1 2758/4885
US-20170129885-A1 COMPOUNDS FOR TREATING SPINAL MUSCULAR ATROPHY SMN1; SMN2, CPT1B, GYS1 ADORA3 3003/4885GRM5 629/4885ALDH1A1 1461/4885
US-20230310651-A1 METHODS FOR MODULATING RNA SPLICING RBM17, SNRPE, RBM3 ADORA3 3782/4885GRM5 1828/4885ALDH1A1 3799/4885
US-11753407-B2 Compounds for treating spinal muscular atrophy SMN1; SMN2, CPT1B, GYS1 ADORA3 1293/4885GRM5 1022/4885ALDH1A1 1651/4885

“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.