SCHEMBL838116

SCHEMBL838116

NNc1c(Br)cccc1Br

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 1/20 0.38
IDO1 P14902 3/20 0.35
LMNA P02545 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
PTGS2 P35354 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
BACE1 P56817 2/20 0.33
ALDH1A1 P00352 2/20 0.33
CA1 P00915 2/20 0.33
CA2 P00918 2/20 0.33
CA6 P23280 2/20 0.33
CA4 P22748 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
TAAR1 Q96RJ0 1/20 0.32
AHR P35869 1/20 0.31
MAPK1 P28482 1/20 0.31

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
Bromide SCHEMBL20984925 0.97 EGFR (0.37) EGFRIDO1LMNACYP1A2CYP3A4
Hydrochloric Acid SCHEMBL20984617 0.97 EGFR (0.37) EGFRIDO1LMNACYP1A2CYP3A4
Sulfuric Acid SCHEMBL20984228 0.86 CA2 (0.40) EGFRLMNACYP3A4TDP1ALDH1A1
Oxalic Acid SCHEMBL20984598 0.86 MEN1 (0.36) EGFRLMNAALDH1A1
Phosphoric Acid SCHEMBL20984457 0.86 ALDH1A1 (0.34) EGFRLMNAALDH1A1CA1CA2
Nitric Acid SCHEMBL20984346 0.84 ALDH1A1 (0.35) EGFRLMNACYP2D6TDP1ALDH1A1
SCHEMBL850140 0.83 GAA (0.42) EGFRLMNACYP1A2TDP1ALDH1A1
Hydrochloric Acid SCHEMBL3712543 0.81 HTT (0.35) EGFRIDO1LMNAALDH1A1CA1
Hydrochloric Acid SCHEMBL838769 0.81 GAA (0.41) EGFRIDO1LMNACYP1A2TDP1
SCHEMBL27976592 0.76 PRNP (0.46) ALDH1A1CA1CA2CA6CA4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112409203-B Method for simultaneously synthesizing phenylhydrazine salt and pyruvic acid or glyoxylic acid 帕潘纳(北京)科技有限公司 2022-10-25 CN disclosed
CN-112409203-A Method for simultaneously synthesizing phenylhydrazine salt and pyruvic acid or glyoxylic acid 帕潘纳(北京)科技有限公司 2021-02-26 CN disclosed
CN-104974161-B The analog of 4H- pyrazolo [1,5- α] benzimidazole compound as PARP inhibitor Hubei company limited of Bio-pharmaceutical Industry Institute for Research and Technology (CN) 2019-11-01 CN disclosed
EP-3130592-B1 ANALOGUES OF 4H-PYRAZOLO[1,5- ]BENZIMIDAZOLE COMPOUND AS PARP INHIBITORS HUBEI BIO PHARMACEUTICAL INDUSTRIAL TECH INSTITUTE INC (CN) 2019-08-14 EP disclosed
CN-106459057-B Analogs of 4H-pyrazolo [1,5- α ] benzimidazole compounds as PARP inhibitors 湖北生物医药产业技术研究院有限公司 2019-06-07 CN disclosed
CN-107663161-A A kind of continuous stream synthesis technique of phenylhydrazine salt and substituted benzene hydrazonium salt 上海惠和化德生物科技有限公司 2018-02-06 CN disclosed
US-9856262-B2 Analogues of 4H-pyrazolo[1,5-a] benzimidazole compound as PARP inhibitors HUBEI BIO-PHARMACEUTICAL INDUSTRIAL TECHNOLOGICAL INSTITUTE INC. (CN) 2018-01-02 US disclosed
EP-3130592-A1 ANALOGUES OF 4H-PYRAZOLO[1,5- ]BENZIMIDAZOLE COMPOUND AS PARP INHIBITORS Hubei Bio-Pharmaceutical Industrial Technological Institute Inc. (CN) 2017-02-15 EP disclosed
US-20170029430-A1 ANALOGUES OF 4H-PYRAZOLO[1,5-a] BENZIMIDAZOLE COMPOUND AS PARP INHIBITORS HUBEI BIO-PHARMACEUTICAL INDUSTRIAL TECHNOLOGICAL INSTITUTE INC. (CN) 2017-02-02 US disclosed
US-8143263-B2 Therapeutic agents ASTRAZENECA AB (SE) 2012-03-27 US disclosed
EP-2324028-A2 THERAPEUTIC AGENTS 414 AstraZeneca AB (SE) 2011-05-25 EP disclosed
US-20100093757-A1 THERAPEUTIC AGENTS 414 ASTRAZENECA AB (SE) 2010-04-15 US disclosed
WO-2010015849-A2 THERAPEUTIC AGENTS 414 ASTRAZENECA AB (SE) 2010-02-11 WO 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 (2 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-20170029430-A1 ANALOGUES OF 4H-PYRAZOLO[1,5-a] BENZIMIDAZOLE COMPOUND AS PARP INHIBITORS PARP1, PARP2, PARP11 EGFR 3551/4885IDO1 1536/4885LMNA 923/4885
US-20100093757-A1 THERAPEUTIC AGENTS 414 GCK, GCKR, GPR119 EGFR 3951/4885IDO1 3277/4885LMNA 3530/4885

“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.