SCHEMBL2235297

SCHEMBL2235297

[NH]c1ccc(CCO)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA2 P00918 5/20 0.59
▸ TDP1 Q9NUW8 1/20 0.55
▸ CA1 P00915 3/20 0.46
▸ CA12 O43570 1/20 0.46
▸ CA4 P22748 1/20 0.46
▸ CA6 P23280 1/20 0.46
▸ CA5A P35218 1/20 0.46
▸ CA7 P43166 1/20 0.46
▸ CA9 Q16790 1/20 0.46
▸ CA14 Q9ULX7 1/20 0.46
▸ CA5B Q9Y2D0 1/20 0.46
▸ TSHR P16473 1/20 0.46
▸ KDM4E B2RXH2 1/20 0.46
▸ ALDH1A1 P00352 1/20 0.46
▸ ALOX5 P09917 1/20 0.46
▸ GAA P10253 1/20 0.46
▸ MAPT P10636 1/20 0.46
▸ BACE1 P56817 1/20 0.46
▸ CYP4F2 P78329 4/20 0.43
▸ CYP4A11 Q02928 4/20 0.43

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
SCHEMBL40656 0.85 CA2 (0.77) CA2TDP1CA1CA12CA4
SCHEMBL6034023 0.84 CA2 (0.50) CA2TDP1CA1KDM4EALDH1A1
SCHEMBL6057959 0.82 CA2 (0.72) CA2TDP1CA1CA12CA4
SCHEMBL2212372 0.78 CA2 (0.59) CA2TDP1CA1CA12CA4
SCHEMBL22408786 0.78 CA2 (0.59) CA2TDP1CA1CA12CA4
SCHEMBL2643271 0.78 CA2 (0.59) CA2TDP1CA1CA12CA4
SCHEMBL12235091 0.78 CA2 (0.59) CA2TDP1CA1CA12CA4
SCHEMBL40703 0.77 CA2 (0.65) CA2TDP1CA1CA12CA4
SCHEMBL7719756 0.77 CA2 (0.65) CA2TDP1CA1CA12CA4
SCHEMBL2642543 0.77 — —

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10876252-B2 Process for dyeing and foaming thermoplastic polyurethane HUNTSMAN INTERNATIONAL LLC (US) 2020-12-29 — — US claimed
US-20200063338-A1 PROCESS FOR DYEING AND FOAMING THERMOPLASTIC POLYURETHANE HUNTSMAN INTERNATIONAL LLC 2020-02-27 — — US claimed
EP-3541988-A1 PROCESS FOR DYEING AND FOAMING THERMOPLASTIC POLYURETHANE Huntsman International LLC (US) 2019-09-25 — — EP claimed
EP-3141552-B1 THIENOPYRIMIDINE DERIVATIVES HAVING INHIBITORY ACTIVITY FOR PROTEIN KINASE HANMI PHARM IND CO LTD (KR) 2019-04-17 — — EP claimed
US-10112954-B2 Bicyclic heteroaryl derivatives having inhibitory activity for protein kinase HANMI PHARM. CO., LTD. (KR) 2018-10-30 — — US claimed
WO-2018091446-A1 PROCESS FOR DYEING AND FOAMING THERMOPLASTIC POLYURETHANE HUNTSMAN INTERNATIONAL LLC (US) 2018-05-24 — — WO claimed
EP-3141552-A1 THIENOPYRIMIDINE DERIVATIVES HAVING INHIBITORY ACTIVITY FOR PROTEIN KINASE Hanmi Pharm. Co., Ltd. (KR) 2017-03-15 — — EP claimed
EP-2528920-A2 BICYCLIC HETEROARYL DERIVATIVES HAVING INHIBITORY ACTIVITY FOR PROTEIN KINASE Hanmi Pharm. Co., Ltd. (KR) 2012-12-05 — — EP claimed
US-20120302567-A1 BICYCLIC HETEROARYL DERIVATIVES HAVING INHIBITORY ACTIVITY FOR PROTEIN KINASE KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2012-11-29 — — US claimed
EP-1980593-B1 Colourant compounds for phase change inks XEROX CORP (US) 2012-08-15 — — EP claimed
WO-2011093672-A2 BICYCLIC HETEROARYL DERIVATIVES HAVING INHIBITORY ACTIVITY FOR PROTEIN KINASE HANMI PHARM. CO., LTD. (KR) 2011-08-04 — — WO claimed
US-7749315-B2 Contaaining polymeric dye or dimer thereof XEROX CORPORATION (US) 2010-07-06 — — US claimed
US-7381831-B1 Colorant compounds XEROX CORPORATION (US) 2008-06-03 — — US claimed
US-10876252-B2 Process for dyeing and foaming thermoplastic polyurethane HUNTSMAN INTERNATIONAL LLC (US) 2020-12-29 — — US disclosed
US-20200063338-A1 PROCESS FOR DYEING AND FOAMING THERMOPLASTIC POLYURETHANE HUNTSMAN INTERNATIONAL LLC 2020-02-27 — — US disclosed
EP-3541988-A1 PROCESS FOR DYEING AND FOAMING THERMOPLASTIC POLYURETHANE Huntsman International LLC (US) 2019-09-25 — — EP disclosed
US-20060258701-A1 Novel 2-pyridinecarboxamide derivatives BANYU PHARMACEUTICAL CO., LTD. (JP) 2006-11-16 — — US disclosed
EP-1671962-A1 NOVEL FUSED HETEROCYCLIC COMPOUND AND USE THEREOF ONO PHARMACEUTICAL CO., LTD. (JP) 2006-06-21 — — EP disclosed
EP-1598349-A1 NOVEL 2-PYRIDINECARBOXAMIDE DERIVATIVES BANYU PHARMACEUTICAL CO., LTD. (JP) 2005-11-23 — — EP disclosed
EP-1087935-B1 ANTHRACENE DERIVATIVES AS ANTI-CANCER AGENTS BTG INT LTD (GB) 2004-08-18 — — 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 (3 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-20120302567-A1 BICYCLIC HETEROARYL DERIVATIVES HAVING INHIBITORY ACTIVITY FOR PROTEIN KINASE CDK2, SBK3, CDK2AP1 CA2 1561/4885TDP1 2250/4885CA1 3727/4885
US-10112954-B2 Bicyclic heteroaryl derivatives having inhibitory activity for protein kinase CDK2, SBK3, CDK2AP1 CA2 1561/4885TDP1 2250/4885CA1 3727/4885
US-20060258701-A1 Novel 2-pyridinecarboxamide derivatives GCKR, GCK, HK2 CA2 81/4885TDP1 4580/4885CA1 1984/4885

“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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