Sugi Predict

Sugi Predict / Compounds / SCHEMBL1028538

SCHEMBL1028538

SCHEMBL1028538

Nc1nc(Cl)cc(N2CCOCC2)n1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 1/20 1.00
▸ CYP2D6 P10635 1/20 1.00
▸ MAPT P10636 1/20 1.00
▸ CRHBP P24387 1/20 0.66
▸ CRHR2 Q13324 1/20 0.66
▸ KMT2A Q03164 4/20 0.60
▸ LMNA P02545 1/20 0.51
▸ PIK3CB P42338 1/20 0.50
▸ MEN1 O00255 1/20 0.50
▸ POLB P06746 1/20 0.50
▸ RAF1 P04049 1/20 0.49
▸ BRAF P15056 1/20 0.49
▸ PIK3CA P42336 3/20 0.48
▸ MAP3K12 Q12852 1/20 0.48
▸ PDPK1 O15530 1/20 0.47
▸ HTT P42858 1/20 0.45
▸ HRH4 Q9H3N8 1/20 0.45

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
SCHEMBL16701415 0.88 CYP1A2 (0.78) CYP1A2CYP2D6MAPTCRHBPCRHR2
SCHEMBL3293436 0.87 CRHBP (0.77) CYP1A2CYP2D6MAPTCRHBPCRHR2
SCHEMBL1318180 0.84 MAPT (0.72) CYP1A2CYP2D6MAPTCRHBPCRHR2
SCHEMBL3719291 0.84 MAPT (0.72) CYP1A2CYP2D6MAPTCRHBPCRHR2
SCHEMBL908493 0.83 MAPT (0.71) CYP1A2CYP2D6MAPTCRHBPCRHR2
SCHEMBL29762330 0.82 MAPT (0.70) CYP1A2CYP2D6MAPTCRHBPCRHR2
SCHEMBL1320033 0.82 CYP1A2 (0.70) CYP1A2CYP2D6MAPTCRHBPCRHR2
SCHEMBL3231344 0.82 CRHBP (0.70) CYP1A2CYP2D6MAPTCRHBPCRHR2
SCHEMBL1318490 0.82 CYP1A2 (0.70) CYP1A2CYP2D6MAPTCRHBPCRHR2
SCHEMBL856815 0.82 MAPT (0.70) CYP1A2CYP2D6MAPTCRHBPCRHR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230135152-A1 PIKFYVE KINASE INHIBITORS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2023-05-04 — — US disclosed
US-20230135152-A1 PIKFYVE KINASE INHIBITORS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2023-05-04 — — US disclosed
US-20230135152-A1 PIKFYVE KINASE INHIBITORS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2023-05-04 — — US disclosed
CN-112457260-B N-heterocyclic aryl quinazoline-4-amine compound and preparation method thereof 江苏食品药品职业技术学院 2023-01-17 — — CN disclosed
EP-4103281-A1 PIKFYVE KINASE INHIBITORS Acurastem Inc. (US) 2022-12-21 — — EP disclosed
CN-114835683-A Quinazoline-4, 6-diamine compound containing morpholinyl aromatic heterocycle and preparation method thereof 江苏食品药品职业技术学院 2022-08-02 — — CN disclosed
WO-2021163727-A1 PIKFYVE KINASE INHIBITORS AcuraStem Incorporated (US) 2021-08-19 — — WO disclosed
WO-2021163727-A1 PIKFYVE KINASE INHIBITORS AcuraStem Incorporated (US) 2021-08-19 — — WO disclosed
CN-108137510-B Compound (I) 葛兰素史密斯克莱知识产权发展有限公司 2021-07-20 — — CN disclosed
CN-108912056-B Benzoyl pyrimidine urea compound and preparation and application thereof 海南大学 2021-06-15 — — CN disclosed
US-20100256143-A1 PHARMACEUTICAL COMPOUNDS BAKER STEWART JAMES 2010-10-07 — — US disclosed
US-20100130496-A1 PYRIMIDINE DERIVATIVES AS INHIBITORS OF PHOSPHATIDYLINOSITOL-3-KINASE F. HOFFMANN-LA ROCHE AG (CH) 2010-05-27 — — US disclosed
US-20100130496-A1 PYRIMIDINE DERIVATIVES AS INHIBITORS OF PHOSPHATIDYLINOSITOL-3-KINASE F. HOFFMANN-LA ROCHE AG (CH) 2010-05-27 — — US disclosed
WO-2010059658-A1 CHEMICAL COMPOUNDS GLAXOSMITHKLINE LLC (US) 2010-05-27 — — WO disclosed
EP-2150546-A2 PYRIMIDINE DERIVATIVES AS INHIBITORS OF PHOSPHATIDYLINOSITOL-3-KINASE F. Hoffmann-Roche AG (CH) 2010-02-10 — — EP disclosed
EP-2146981-A1 PHARMACEUTICAL COMPOUNDS F. Hoffmann-Roche AG (CH) 2010-01-27 — — EP disclosed
WO-2008125839-A2 PYRIMIDINE DERIVATIVES AS INHIBITORS OF PHOSPHATIDYLINOSITOL-3-KINASE PIRAMED LIMITED (GB) 2008-10-23 — — WO disclosed
WO-2008125833-A1 PHARMACEUTICAL COMPOUNDS PIRAMED LIMITED (GB) 2008-10-23 — — WO disclosed
WO-2008125833-A1 PHARMACEUTICAL COMPOUNDS PIRAMED LIMITED (GB) 2008-10-23 — — WO disclosed
WO-2003024448-A2 INHIBITORS OF HISTONE DEACETYLASE METHYLGENE, INC. (CA) 2003-03-27 — — 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 (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-20230135152-A1 PIKFYVE KINASE INHIBITORS PIKFYVE, PIP5K1B, PIP5K1C CYP1A2 4578/4885CYP2D6 4735/4885MAPT 1501/4885
US-20100256143-A1 PHARMACEUTICAL COMPOUNDS PIK3CA, PIK3CD, JAK2 CYP1A2 1185/4885CYP2D6 1107/4885MAPT 2195/4885
US-20100130496-A1 PYRIMIDINE DERIVATIVES AS INHIBITORS OF PHOSPHATIDYLINOSITOL-3-KINASE PIK3CA, PIP5K1B, PIK3CD CYP1A2 1413/4885CYP2D6 1525/4885MAPT 2913/4885

“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.