Sugi Predict

Sugi Predict / Compounds / SCHEMBL445253

SCHEMBL445253

SCHEMBL445253

Clc1ccc(-c2ccnc(Cl)n2)cn1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ CYP2A6 P11509 1/20 0.47
▸ PIK3CD O00329 1/20 0.46
▸ KMO O15229 2/20 0.41
▸ NOTUM Q6P988 1/20 0.40
▸ NPC1 O15118 3/20 0.39
▸ RAB9A P51151 2/20 0.39
▸ KDM4E B2RXH2 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ MEN1 O00255 2/20 0.39
▸ KMT2A Q03164 2/20 0.39
▸ MAPT P10636 2/20 0.39
▸ MAPK1 P28482 1/20 0.38
▸ MAP4K4 O95819 1/20 0.38
▸ HDAC8 Q9BY41 1/20 0.37
▸ NAPRT Q6XQN6 1/20 0.37
▸ ERN1 O75460 1/20 0.37
▸ TRPV3 Q8NET8 1/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.36
▸ AAK1 Q2M2I8 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
SCHEMBL17153246 0.82 GABRA1 (0.39) PIK3CDKMONPC1RAB9AALDH1A1
SCHEMBL26850881 0.81 PIK3CD (0.52) PIK3CDKMONPC1RAB9AKDM4E
SCHEMBL31390937 0.81 MAPT (0.47) CYP2A6KMONPC1RAB9AMEN1
SCHEMBL442646 0.81 HPGDS (0.42) CYP2A6PIK3CDKMONPC1RAB9A
SCHEMBL441888 0.78 MAPT (0.59) KMONPC1RAB9AKDM4EALDH1A1
SCHEMBL3413118 0.78 APP (0.42) MAPT
SCHEMBL31390829 0.78 KMO (0.44) KMOKDM4EMAPTL3MBTL1AAK1
SCHEMBL442179 0.78 CYP19A1 (0.50) CYP2A6PIK3CDKMOMAPTMAPK1
SCHEMBL31390918 0.78 KMO (0.44) KMOKDM4EMAPTL3MBTL1AAK1
SCHEMBL9957212 0.77 PIK3CD (0.49) PIK3CDKMONPC1RAB9AKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114213415-A Macrocyclic pyrimidine derivatives 詹森药业有限公司 2022-03-22 — — CN disclosed
CN-106164075-B Macrocyclic pyrimidine derivatives 詹森药业有限公司 2021-11-26 — — CN disclosed
US-10017509-B2 Macrocylic pyrimidine derivatives JANSSEN PHARMACEUTICA NV (BE) 2018-07-10 — — US disclosed
EP-3126364-B1 MACROCYLIC PYRIMIDINE DERIVATIVES JANSSEN PHARMACEUTICA NV (BE) 2018-02-07 — — EP disclosed
EP-3126364-A1 MACROCYLIC PYRIMIDINE DERIVATIVES Janssen Pharmaceutica, N.V. (BE) 2017-02-08 — — EP disclosed
US-20170022202-A1 MACROCYLIC PYRIMIDINE DERIVATIVES JANSSEN PHARMACEUTICA NV (BE) 2017-01-26 — — US disclosed
WO-2015150555-A1 MACROCYLIC PYRIMIDINE DERIVATIVES JANSSEN PHARMACEUTICA NV (BE) 2015-10-08 — — WO disclosed
EP-2613775-B1 N-HYDROXY-BENZAMIDES FOR THE TREATMENT OF CANCER HOFFMANN LA ROCHE (CH) 2014-07-30 — — EP disclosed
US-8716285-B2 N-hydroxy-benzamids for the treatment of cancer HOFFMANN-LA ROCHE INC. (US) 2014-05-06 — — US disclosed
US-8609836-B2 4-aryl-2-anilino-pyrimidines JANSSEN PHARMACEUTICA NV (BE) 2013-12-17 — — US disclosed
EP-2613775-A1 NOVEL N-HYDROXY-BENZAMIDES FOR THE TREATMENT OF CANCER F.HOFFMANN-LA ROCHE AG (CH) 2013-07-17 — — EP disclosed
EP-2283024-B1 4-ARYL-2-ANILINO-PYRIMIDINES AS PLK KINASE INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2013-05-15 — — EP disclosed
US-20130053379-A1 4-ARYL-2-ANILINO-PYRIMIDINES JANSSEN PHARMACEUTICA NV (BE) 2013-02-28 — — US disclosed
US-8318929-B2 4-aryl-2-anilino-pyrimidines JANSSEN PHARMACEUTICA NV (BE) 2012-11-27 — — US disclosed
US-20120065204-A1 NOVEL N-HYDROXY-BENZAMIDS FOR THE TREATMENT OF CANCER F. HOFFMANN-LA ROCHE AG (CH) 2012-03-15 — — US disclosed
WO-2012031993-A1 NOVEL N-HYDROXY-BENZAMIDES FOR THE TREATMENT OF CANCER F. HOFFMANN-LA ROCHE AG (CH) 2012-03-15 — — WO disclosed
EP-2283024-A1 4-ARYL-2-ANILINO-PYRIMIDINES AS PLK KINASE INHIBITORS Janssen Pharmaceutica, N.V. (BE) 2011-02-16 — — EP disclosed
US-20110009404-A1 4-ARYL-2-ANILINO-PYRIMIDINES JANSSEN PHARMACEUTICA NV (BE) 2011-01-13 — — US disclosed
WO-2009112439-A1 4-ARYL-2-ANILINO-PYRIMIDINES AS PLK KINASE INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2009-09-17 — — 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 (5 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-20170022202-A1 MACROCYLIC PYRIMIDINE DERIVATIVES EEF2K, VPS26B, VPS28 CYP2A6 2725/4885PIK3CD 304/4885KMO 4212/4885
US-20130053379-A1 4-ARYL-2-ANILINO-PYRIMIDINES PLK4, PLK3, PLK2 CYP2A6 1902/4885PIK3CD 453/4885KMO 409/4885
US-20120065204-A1 NOVEL N-HYDROXY-BENZAMIDS FOR THE TREATMENT OF CANCER HNMT, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, HRAS CYP2A6 1809/4885PIK3CD 2933/4885KMO 2770/4885
US-20110009404-A1 4-ARYL-2-ANILINO-PYRIMIDINES PLK4, PLK3, PLK2 CYP2A6 1902/4885PIK3CD 453/4885KMO 409/4885
US-10017509-B2 Macrocylic pyrimidine derivatives EEF2K, VPS26B, VPS28 CYP2A6 2725/4885PIK3CD 304/4885KMO 4212/4885

“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.