SCHEMBL19181007

SCHEMBL19181007

COc1cc(CC(=O)N(C)C)ccc1[N+](=O)[O-]

nearest known ligand 0.61

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 3/20 0.61
SMN1; SMN2 Q16637 3/20 0.46
MAPT P10636 2/20 0.46
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2C19 P33261 1/20 0.46
TTR P02766 1/20 0.44
ALDH1A1 P00352 5/20 0.44
TDP1 Q9NUW8 2/20 0.44
LMNA P02545 2/20 0.44
PTBP1 P26599 1/20 0.43
BCL2L1 Q07817 1/20 0.43
CTSD P07339 1/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
GAA P10253 1/20 0.42
TSHR P16473 1/20 0.42
NFKB1 P19838 1/20 0.42
SIRT6 Q8N6T7 1/20 0.42

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
SCHEMBL13726117 0.86 CHEK1 (0.49) CHEK1SMN1; SMN2MAPTCYP1A2CYP3A4
SCHEMBL19181014 0.85 CHEK1 (0.48) CHEK1SMN1; SMN2MAPTCYP1A2CYP3A4
SCHEMBL8789657 0.85 UBE2N (0.53) CHEK1SMN1; SMN2MAPTCYP1A2CYP3A4
SCHEMBL19181668 0.84 CHEK1 (0.48) CHEK1SMN1; SMN2MAPTCYP1A2CYP3A4
SCHEMBL2593397 0.84 ALDH1A1 (0.60) CHEK1SMN1; SMN2MAPTCYP1A2CYP3A4
SCHEMBL5673785 0.84 ALDH1A1 (0.60) CHEK1SMN1; SMN2MAPTCYP1A2CYP3A4
SCHEMBL25734367 0.84 ALDH1A1 (0.49) CHEK1SMN1; SMN2MAPTCYP1A2CYP3A4
SCHEMBL2593349 0.83 CYP1A2 (0.50) CHEK1MAPTCYP1A2CYP3A4CYP2C19
SCHEMBL6588549 0.83 CYP1A2 (0.47) CHEK1SMN1; SMN2MAPTCYP1A2CYP3A4
SCHEMBL5065594 0.83 CYP1A2 (0.50) CHEK1SMN1; SMN2MAPTCYP1A2CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3590516-B1 ANTITUMOR-EFFECT ENHANCER USING PYRAZOLO[3,4-D]PYRIMIDINE COMPOUND TAIHO PHARMACEUTICAL CO LTD (JP) 2025-09-03 EP disclosed
CN-117580836-A Pyrimidine ring structure derivative and application thereof 四川汇宇制药股份有限公司 2024-02-20 CN disclosed
US-11696917-B2 Agent enhancing antitumor effect using pyrazolo[3,4-d]pyrimidine compound TAIHO PHARMACEUTICAL CO., LTD. (JP) 2023-07-11 US disclosed
WO-2022268209-A1 DERIVATIVE HAVING PYRIMIDINE-FUSED CYCLIC STRUCTURE, AND USE THEREOF 四川汇宇制药股份有限公司 2022-12-29 WO disclosed
EP-3345907-B1 PYRAZOLO[3,4-D]PYRIMIDINE COMPOUNDS OR SALTS THEREOF TAIHO PHARMACEUTICAL CO LTD (JP) 2020-04-22 EP disclosed
US-20200061067-A1 AGENT ENHANCING ANTITUMOR EFFECT USING PYRAZOLO[3,4-d]PYRIMIDINE COMPOUND TAIHO PHARMACEUTICAL CO., LTD. (JP) 2020-02-27 US disclosed
US-10329300-B2 Pyrazolo[3,4-d]pyrimidine compound or salt thereof TAIHO PHARMACEUTICAL CO., LTD. (JP) 2019-06-25 US disclosed
US-20180201615-A1 PYRAZOLO[3,4-d]PYRIMIDINE COMPOUND OR SALT THEREOF TAIHO PHARMACEUTICAL CO. , LTD. (JP) 2018-07-19 US disclosed
EP-3345907-A1 NOVEL PYRAZOLO[3,4-d]PYRIMIDINE COMPOUND OR SALT THEREOF Taiho Pharmaceutical Co., Ltd. (JP) 2018-07-11 EP disclosed
US-9920060-B2 Pyrazolo[3,4-d]pyrimidine compound or salt thereof TAIHO PHARMACEUTICAL CO., LTD. (JP) 2018-03-20 US disclosed
US-20170217970-A1 NOVEL PYRAZOLO[3,4-d]PYRIMIDINE COMPOUND OR SALT THEREOF TAIHO PHARMACEUTICAL CO., LTD. (JP) 2017-08-03 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-20170217970-A1 NOVEL PYRAZOLO[3,4-d]PYRIMIDINE COMPOUND OR SALT THEREOF ERBB2, JAK2, ERBB4 CHEK1 138/4885SMN1; SMN2 4250/4885MAPT 4023/4885
US-11696917-B2 Agent enhancing antitumor effect using pyrazolo[3,4-d]pyrimidine compound ZYX, DPYD, ZFX CHEK1 540/4885SMN1; SMN2 2489/4885MAPT 4754/4885
US-20180201615-A1 PYRAZOLO[3,4-d]PYRIMIDINE COMPOUND OR SALT THEREOF ERBB2, JAK2, ERBB4 CHEK1 278/4885SMN1; SMN2 4201/4885MAPT 4038/4885
US-10329300-B2 Pyrazolo[3,4-d]pyrimidine compound or salt thereof ERBB2, JAK2, ERBB4 CHEK1 278/4885SMN1; SMN2 4201/4885MAPT 4038/4885
US-20200061067-A1 AGENT ENHANCING ANTITUMOR EFFECT USING PYRAZOLO[3,4-d]PYRIMIDINE COMPOUND ZYX, DPYD, ZFX CHEK1 540/4885SMN1; SMN2 2489/4885MAPT 4754/4885

“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.