SCHEMBL3332690

SCHEMBL3332690

O=[N+]([O-])c1ccccc1Oc1nc(Cl)ncc1Cl

nearest known ligand 0.66

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ PIN1 Q13526 14/20 0.66
▸ HPGD P15428 1/20 0.57
▸ ALDH1A1 P00352 1/20 0.57
▸ HTT P42858 1/20 0.56
▸ L3MBTL1 Q9Y468 1/20 0.50
▸ GAA P10253 1/20 0.50
▸ EGFR P00533 1/20 0.49

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
SCHEMBL25947633 0.76 PIN1 (0.46) PIN1HPGDALDH1A1HTTL3MBTL1
SCHEMBL28984664 0.75 HPGD (0.61) PIN1HPGDALDH1A1HTTL3MBTL1
SCHEMBL30635855 0.75 PIN1 (0.64) PIN1ALDH1A1HTTGAAEGFR
SCHEMBL30378947 0.75 LCK (0.46) PIN1ALDH1A1HTTGAA
SCHEMBL3334570 0.75 PIN1 (0.64) PIN1ALDH1A1HTTGAAEGFR
SCHEMBL26087125 0.75 LCK (0.46) PIN1ALDH1A1HTTGAA
SCHEMBL1707043 0.74 PIN1 (0.58) PIN1HTTEGFR
SCHEMBL12620328 0.74 PIN1 (1.00) PIN1
SCHEMBL30584631 0.74 PIN1 (0.60) PIN1HPGDALDH1A1HTTGAA
SCHEMBL30584582 0.74 PIN1 (0.56) PIN1ALDH1A1GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4745127-A1 PYRIMIDINAMINE NUAK INHIBITOR AS WELL AS PREPARATION METHOD THEREFOR AND USE THEREOF Technoderma Medicines Inc. (CN) 2026-05-20 — — EP disclosed
CN-116947764-B Pyrimidamine NUAK inhibitor and preparation method and application thereof 特科罗生物科技(成都)有限公司 2025-06-13 — — CN disclosed
WO-2025011444-A1 PYRIMIDINAMINE NUAK INHIBITOR AS WELL AS PREPARATION METHOD THEREFOR AND USE THEREOF 特科罗生物科技(成都)有限公司 2025-01-16 — — WO disclosed
CN-116947764-A Pyrimidine amine NUAK inhibitor and preparation method and application thereof 特科罗生物科技(成都)有限公司 2023-10-27 — — CN disclosed
EP-2953457-B1 ERK INHIBITORS AND USES THEREOF CELGENE CAR LLC (BM) 2020-04-08 — — EP disclosed
EP-2953457-B1 ERK INHIBITORS AND USES THEREOF CELGENE CAR LLC (BM) 2020-04-08 — — EP disclosed
US-9980964-B2 ERK inhibitors and uses thereof CELGENE CAR LLC (BM) 2018-05-29 — — US disclosed
US-9980964-B2 ERK inhibitors and uses thereof CELGENE CAR LLC (BM) 2018-05-29 — — US disclosed
US-9980964-B2 ERK inhibitors and uses thereof CELGENE CAR LLC (BM) 2018-05-29 — — US disclosed
US-9796700-B2 ERK inhibitors and uses thereof CELGENE CAR LLC (BM) 2017-10-24 — — US disclosed
US-20140228322-A1 ERK INHIBITORS AND USES THEREOF CELGENE AVILOMICS RESEARCH, INC. (US) 2014-08-14 — — US disclosed
US-20140228322-A1 ERK INHIBITORS AND USES THEREOF CELGENE AVILOMICS RESEARCH, INC. (US) 2014-08-14 — — US disclosed
US-20140228322-A1 ERK INHIBITORS AND USES THEREOF CELGENE AVILOMICS RESEARCH, INC. (US) 2014-08-14 — — US disclosed
WO-2014124230-A2 ERK INHIBITORS AND USES THEREOF CELGENE AVILOMICS RESEARCH, INC. (US) 2014-08-14 — — WO disclosed
US-20100144732-A1 PYRIMIDINE KINASE INHIBITORS GENENTECH, INC. 2010-06-10 — — US disclosed
US-20100144732-A1 PYRIMIDINE KINASE INHIBITORS GENENTECH, INC. 2010-06-10 — — US disclosed
US-20100144732-A1 PYRIMIDINE KINASE INHIBITORS GENENTECH, INC. 2010-06-10 — — US disclosed
EP-2099771-A1 PYRIMIDINE KINASE INHIBITORS Genentech, Inc. (US) 2009-09-16 — — EP disclosed
WO-2008079719-A1 PYRIMIDINE KINASE INHIBITORS GENENTECH, INC. (US) 2008-07-03 — — WO disclosed
WO-2008079719-A1 PYRIMIDINE KINASE INHIBITORS GENENTECH, INC. (US) 2008-07-03 — — 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-20100144732-A1 PYRIMIDINE KINASE INHIBITORS DTYMK, DCK, TYMP PIN1 2781/4885HPGD 2984/4885ALDH1A1 3289/4885
US-20140228322-A1 ERK INHIBITORS AND USES THEREOF MAP3K20, MAP3K1, MAPK3 PIN1 656/4885HPGD 1632/4885ALDH1A1 2838/4885

“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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