SCHEMBL1877071

SCHEMBL1877071

Clc1cc(Cl)c2c(c1)NCC2

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NOTUM Q6P988 1/20 0.55
▸ HTR2A P28223 2/20 0.44
▸ HTR2C P28335 2/20 0.44
▸ HTR2B P41595 2/20 0.44
▸ MEN1 O00255 2/20 0.44
▸ KMT2A Q03164 2/20 0.44
▸ L3MBTL1 Q9Y468 1/20 0.44
▸ PNMT P11086 1/20 0.41
▸ CES1 P23141 1/20 0.36
▸ DRD2 P14416 1/20 0.36
▸ DRD4 P21917 1/20 0.36
▸ ALDH1A1 P00352 3/20 0.36
▸ HSD17B10 Q99714 2/20 0.36
▸ HTT P42858 2/20 0.36
▸ KDM4E B2RXH2 1/20 0.36
▸ TP53 P04637 1/20 0.36
▸ GAA P10253 1/20 0.36
▸ MAPT P10636 1/20 0.36
▸ ALOX15 P16050 1/20 0.36
▸ ALOX12 P18054 1/20 0.36

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
SCHEMBL29599871 1.00 NOTUM (0.55) NOTUMHTR2AHTR2CHTR2BMEN1
SCHEMBL6185822 0.87 MAPT (0.50) NOTUMHTR2AHTR2CHTR2BMEN1
Indoline SCHEMBL22344733 0.84 NOTUM (0.46) NOTUMHTR2AHTR2CHTR2BMEN1
SCHEMBL1405476 0.81 NOTUM (0.50) NOTUMHTR2AHTR2CHTR2BMEN1
SCHEMBL7038840 0.78 NOTUM (0.42) NOTUMHTR2AHTR2CHTR2BMEN1
SCHEMBL31161303 0.78 NOTUM (0.42) NOTUMHTR2AHTR2CHTR2BMEN1
SCHEMBL20939380 0.78 NOTUM (0.42) NOTUMHTR2AHTR2CHTR2BMEN1
SCHEMBL9514990 0.75 MEN1 (0.56) NOTUMHTR2AHTR2CHTR2BMEN1
SCHEMBL27732858 0.75 MEN1 (0.49) NOTUMMEN1KMT2APNMTDRD2
SCHEMBL27670186 0.74 ALDH1A1 (0.48) NOTUMHTR2AHTR2CHTR2BKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3877364-B1 ROCK KINASE INHIBITORS Cervello Therapeutics LLC (US) 2024-08-21 — — EP disclosed
US-11912719-B2 Substituted isoquinolines as rock kinase inhibitors CERVELLO THERAPEUTICS, LLC. (US) 2024-02-27 — — US disclosed
US-11912719-B2 Substituted isoquinolines as rock kinase inhibitors CERVELLO THERAPEUTICS, LLC. (US) 2024-02-27 — — US disclosed
US-11912719-B2 Substituted isoquinolines as rock kinase inhibitors CERVELLO THERAPEUTICS, LLC. (US) 2024-02-27 — — US disclosed
US-20220119406-A1 SUBSTITUTED ISOQUINOLINES AS ROCK KINASE INHIBITORS Cervello Therapeutics LLC (US) 2022-04-21 — — US disclosed
US-20220119406-A1 SUBSTITUTED ISOQUINOLINES AS ROCK KINASE INHIBITORS Cervello Therapeutics LLC (US) 2022-04-21 — — US disclosed
US-11248004-B2 Substituted isoquinolines as rock kinase inhibitors CERVELLO THERAPEUTICS, LLC. (US) 2022-02-15 — — US disclosed
US-11248004-B2 Substituted isoquinolines as rock kinase inhibitors CERVELLO THERAPEUTICS, LLC. (US) 2022-02-15 — — US disclosed
EP-3877364-A1 ROCK KINASE INHIBITORS Cervello Therapeutics, LLC (US) 2021-09-15 — — EP disclosed
CN-113227054-A ROCK kinase inhibitors 切尔韦洛治疗有限责任公司 2021-08-06 — — CN disclosed
US-10745381-B2 Substituted isoquinolines and phthalazines as rock kinase inhibitors CERVELLO THERAPEUTICS, LLC. (US) 2020-08-18 — — US disclosed
US-20200140412-A1 ROCK KINASE INHIBITORS CERVELLO THERAPEUTICS, LLC. 2020-05-07 — — US disclosed
US-20200140412-A1 ROCK KINASE INHIBITORS CERVELLO THERAPEUTICS, LLC. 2020-05-07 — — US disclosed
US-9580426-B2 Compounds that expand hematopoietic stem cells NOVARTIS AG (CH) 2017-02-28 — — US disclosed
US-20140114070-A1 COMPOUNDS THAT EXPAND HEMATOPOIETIC STEM CELLS THE SCRIPPS RESEARCH INSTITUTE (US) 2014-04-24 — — US disclosed
US-7935674-B2 Indole derivatives MITSUBISHI TANABE PHARMA CORPORATION (JP) 2011-05-03 — — US disclosed
CN-101111492-B Indole derivatives TANABE SEIYAKU CO 2010-09-22 — — CN disclosed
US-20090258921-A1 INDOLE DERIVATIVES NOMURA SUMIHIRO 2009-10-15 — — US disclosed
US-20080119422-A1 Indole Derivatives MITSUBISHI TANABE PHARMA CORPORATION (JP) 2008-05-22 — — US disclosed
CN-101111492-A Indole derivatives TANABE SEIYAKU CO (JP) 2008-01-23 — — CN 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 (8 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-20090258921-A1 INDOLE DERIVATIVES IDO1, TPH1, NAT1 NOTUM 4149/4885HTR2A 23/4885HTR2C 18/4885
US-10745381-B2 Substituted isoquinolines and phthalazines as rock kinase inhibitors ROCK1, ROCK2, CIT NOTUM 2976/4885HTR2A 1426/4885HTR2C 1931/4885
US-11248004-B2 Substituted isoquinolines as rock kinase inhibitors ROCK1, ROCK2, CIT NOTUM 2655/4885HTR2A 1676/4885HTR2C 1836/4885
US-11912719-B2 Substituted isoquinolines as rock kinase inhibitors ROCK1, ROCK2, CIT NOTUM 2655/4885HTR2A 1676/4885HTR2C 1836/4885
US-20200140412-A1 ROCK KINASE INHIBITORS ROCK1, ROCK2, RHOA NOTUM 2653/4885HTR2A 3280/4885HTR2C 3778/4885
US-20140114070-A1 COMPOUNDS THAT EXPAND HEMATOPOIETIC STEM CELLS CD47, HCLS1, CD74 NOTUM 4840/4885HTR2A 4652/4885HTR2C 4674/4885
US-20080119422-A1 Indole Derivatives IDO1, TPH1, NAT1 NOTUM 4149/4885HTR2A 23/4885HTR2C 18/4885
US-20220119406-A1 SUBSTITUTED ISOQUINOLINES AS ROCK KINASE INHIBITORS ROCK1, ROCK2, CIT NOTUM 2655/4885HTR2A 1676/4885HTR2C 1836/4885

“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.

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