SCHEMBL19337066

SCHEMBL19337066

O=c1ccn(-c2ccnc(Cl)n2)c2ccccc12

nearest known ligand 0.61

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
RPS6KA5 O75582 1/20 0.61
ROCK1 Q13464 15/20 0.46
CDC7 O00311 4/20 0.46
CDK2 P24941 4/20 0.46
PDE5A O76074 1/20 0.42
PDE4A P27815 1/20 0.42
PDE1A P54750 1/20 0.42
PDE1B Q01064 1/20 0.42
PDE4B Q07343 1/20 0.42
PDE4C Q08493 1/20 0.42
PDE4D Q08499 1/20 0.42
PDE3B Q13370 1/20 0.42
PDE1C Q14123 1/20 0.42
PDE3A Q14432 1/20 0.42
MAP3K14 Q99558 1/20 0.39

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
SCHEMBL5659028 0.81 RPS6KA5 (0.68) RPS6KA5ROCK1CDC7CDK2MAP3K14
SCHEMBL30459871 0.81 RPS6KA5 (0.68) RPS6KA5ROCK1CDC7CDK2MAP3K14
SCHEMBL19100158 0.79 RPS6KA5 (0.52) RPS6KA5ROCK1CDC7CDK2
SCHEMBL30297960 0.78 GAA (0.47) RPS6KA5PDE5APDE4APDE1APDE1B
SCHEMBL9385489 0.78 GAA (0.47) RPS6KA5PDE5APDE4APDE1APDE1B
SCHEMBL18803532 0.77 RPS6KA5 (0.54) RPS6KA5ROCK1CDC7CDK2
SCHEMBL28600560 0.77 RPS6KA5 (0.50) RPS6KA5ROCK1CDC7CDK2
SCHEMBL19100174 0.77 RPS6KA5 (0.50) RPS6KA5ROCK1CDC7CDK2
SCHEMBL30467968 0.77 RPS6KA5 (0.50) RPS6KA5ROCK1CDC7CDK2
SCHEMBL17339100 0.77 RPS6KA5 (0.50) RPS6KA5ROCK1CDC7CDK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240208967-A1 Pyrimidine or Pyridine Compounds, Preparation Method Therefor and Pharmaceutical Uses Thereof INVENTISBIO CO LTD (CN) 2024-06-27 US disclosed
US-11203589-B2 Pyrimidine or pyridine compounds, preparation method therefor and pharmaceutical uses thereof InventisBio Co., Ltd. (CN) 2021-12-21 US disclosed
EP-3885344-A2 PYRIMIDINE COMPOUNDS, PREPARATION METHOD THEREFOR AND PHARMACEUTICAL USES THEREOF InventisBio Co., Ltd. (CN) 2021-09-29 EP disclosed
US-20190152969-A1 PYRIMIDINE OR PYRIDINE COMPOUNDS, PREPARATION METHOD THEREFOR AND PHARMACEUTICAL USES THEREOF INVENTISBIO SHANGHAI LTD. (CN) 2019-05-23 US disclosed
US-10179784-B2 Pyrimidine or pyridine compounds, preparation method therefor and pharmaceutical uses thereof INVENTISBIO SHANGHAI LTD. (CN) 2019-01-15 US disclosed
US-20170355696-A1 PYRIMIDINE OR PYRIDINE COMPOUNDS, PREPARATION METHOD THEREFOR AND PHARMACEUTICAL USES THEREOF InventisBio Co., Ltd. (CN) 2017-12-14 US disclosed
US-20170355696-A1 PYRIMIDINE OR PYRIDINE COMPOUNDS, PREPARATION METHOD THEREFOR AND PHARMACEUTICAL USES THEREOF InventisBio Co., Ltd. (CN) 2017-12-14 US disclosed
EP-3216786-A1 PYRIMIDINE OR PYRIDINE COMPOUNDS, PREPARATION METHOD THEREFOR AND PHARMACEUTICAL USES THEREOF Shanghai Shaletech Technology Co., Ltd. (CN) 2017-09-13 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 (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-20190152969-A1 PYRIMIDINE OR PYRIDINE COMPOUNDS, PREPARATION METHOD THEREFOR AND PHARMACEUTICAL USES THEREOF EGFR, WEE1, DPYD RPS6KA5 1451/4885ROCK1 2582/4885CDC7 2444/4885
US-20240208967-A1 Pyrimidine or Pyridine Compounds, Preparation Method Therefor and Pharmaceutical Uses Thereof EGFR, WEE1, DPYD RPS6KA5 1451/4885ROCK1 2582/4885CDC7 2444/4885
US-11203589-B2 Pyrimidine or pyridine compounds, preparation method therefor and pharmaceutical uses thereof EGFR, WEE1, TP53 RPS6KA5 1335/4885ROCK1 3744/4885CDC7 2184/4885
US-20170355696-A1 PYRIMIDINE OR PYRIDINE COMPOUNDS, PREPARATION METHOD THEREFOR AND PHARMACEUTICAL USES THEREOF EGFR, WEE1, DPYD RPS6KA5 1696/4885ROCK1 3157/4885CDC7 2596/4885
US-10179784-B2 Pyrimidine or pyridine compounds, preparation method therefor and pharmaceutical uses thereof EGFR, WEE1, DPYD RPS6KA5 1451/4885ROCK1 2582/4885CDC7 2444/4885

“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.