Sugi Predict

Sugi Predict / Compounds / SCHEMBL1320779

SCHEMBL1320779

SCHEMBL1320779

CC(C)n1nc(-c2ccc(N)cc2)c2c(N)ncnc21

nearest known ligand 0.80

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ SRC P12931 20/20 0.80
▸ ABL1 P00519 18/20 0.80
▸ PIK3CD O00329 16/20 0.80
▸ PIK3CA P42336 16/20 0.80
▸ PIK3CG P48736 16/20 0.80
▸ PRKDC P78527 16/20 0.80
▸ PIK3CB P42338 15/20 0.80
▸ EGFR P00533 15/20 0.80
▸ HCK P08631 15/20 0.80
▸ KDR P35968 15/20 0.80
▸ MTOR P42345 15/20 0.80
▸ EPHB4 P54760 15/20 0.80
▸ PI4KB Q9UBF8 14/20 0.80

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
SCHEMBL29998796 0.99 SRC (0.78) SRCABL1PIK3CDPIK3CAPIK3CG
SCHEMBL14574610 0.92 SRC (0.76) SRCABL1PIK3CDPIK3CAPIK3CG
SCHEMBL29390873 0.92 SRC (0.76) SRCABL1PIK3CDPIK3CAPIK3CG
SCHEMBL12437093 0.90 SRC (0.78) SRCABL1PIK3CDPIK3CAPIK3CG
SCHEMBL29391411 0.90 SRC (0.78) SRCABL1PIK3CDPIK3CAPIK3CG
SCHEMBL2434152 0.89 SRC (1.00) SRCABL1PIK3CDPIK3CAPIK3CG
SCHEMBL12435990 0.89 SRC (0.76) SRCABL1PIK3CDPIK3CAPIK3CG
SCHEMBL12436456 0.89 SRC (0.76) SRCABL1PIK3CDPIK3CAPIK3CG
SCHEMBL3630418 0.89 SRC (0.76) SRCABL1PIK3CDPIK3CAPIK3CG
SCHEMBL2464370 0.87 SRC (1.00) SRCABL1PIK3CDPIK3CAPIK3CG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118812538-A Compound with anti-renal cancer activity and preparation method and application thereof 南京健康产业研究院 2024-10-22 — — CN disclosed
US-20240317758-A1 NEK7 INHIBITORS Halia Therapeutics, Inc. 2024-09-26 — — US disclosed
CN-117597346-A NEK7 inhibitors 哈利亚治疗公司 2024-02-23 — — CN disclosed
EP-4320127-A1 NEK7 INHIBITORS Halia Therapeutics, Inc. (US) 2024-02-14 — — EP disclosed
CN-116583287-A Pyridazinone heterocyclic compound, preparation method and application thereof 四川科伦博泰生物医药股份有限公司 2023-08-11 — — CN disclosed
US-20230210853-A1 TARGETED NEK7 INHIBITION FOR MODULATION OF THE NLRP3 INFLAMMASOME Halia Therapeutics, Inc. 2023-07-06 — — US disclosed
US-20230210853-A1 TARGETED NEK7 INHIBITION FOR MODULATION OF THE NLRP3 INFLAMMASOME Halia Therapeutics, Inc. 2023-07-06 — — US disclosed
US-20230210853-A1 TARGETED NEK7 INHIBITION FOR MODULATION OF THE NLRP3 INFLAMMASOME Halia Therapeutics, Inc. 2023-07-06 — — US disclosed
US-20230203045-A1 INHIBITORS OF NEK7 KINASE Halia Therapeutics, Inc. 2023-06-29 — — US disclosed
US-20230203045-A1 INHIBITORS OF NEK7 KINASE Halia Therapeutics, Inc. 2023-06-29 — — US disclosed
US-20130137708-A1 METHODS AND COMPOSITIONS FOR KINASE INHIBITION THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2013-05-30 — — US disclosed
US-20130137708-A1 METHODS AND COMPOSITIONS FOR KINASE INHIBITION THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2013-05-30 — — US disclosed
US-20120322814-A1 METHODS OF INHIBITING IRE1 THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2012-12-20 — — US disclosed
US-20120322814-A1 METHODS OF INHIBITING IRE1 THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2012-12-20 — — US disclosed
US-20120322814-A1 METHODS OF INHIBITING IRE1 THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2012-12-20 — — US disclosed
WO-2011153553-A2 METHODS AND COMPOSITIONS FOR KINASE INHIBITION THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2011-12-08 — — WO disclosed
US-20110275651-A1 FUSED RING HETEROARYL KINASE INHIBITORS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2011-11-10 — — US disclosed
US-20110275651-A1 FUSED RING HETEROARYL KINASE INHIBITORS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2011-11-10 — — US disclosed
US-20110275651-A1 FUSED RING HETEROARYL KINASE INHIBITORS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2011-11-10 — — US disclosed
WO-2010045542-A2 FUSED RING HETEROARYL KINASE INHIBITORS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2010-04-22 — — 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 (6 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-20130137708-A1 METHODS AND COMPOSITIONS FOR KINASE INHIBITION SRC, ABL1, LCK SRC 1/4885ABL1 2/4885PIK3CD 333/4885
US-20230203045-A1 INHIBITORS OF NEK7 KINASE NEK7, NEK1, NEK5 SRC 651/4885ABL1 2499/4885PIK3CD 1435/4885
US-20120322814-A1 METHODS OF INHIBITING IRE1 XBP1, DNAJC10, HSPA5 SRC 4225/4885ABL1 3874/4885PIK3CD 2956/4885
US-20230210853-A1 TARGETED NEK7 INHIBITION FOR MODULATION OF THE NLRP3 INFLAMMASOME NEK7, NLRP3, NOD1 SRC 3388/4885ABL1 4556/4885PIK3CD 3373/4885
US-20110275651-A1 FUSED RING HETEROARYL KINASE INHIBITORS CNKSR1, MAP3K20, TTK SRC 180/4885ABL1 46/4885PIK3CD 276/4885
US-20240317758-A1 NEK7 INHIBITORS NEK7, NEK5, NEK1 SRC 1649/4885ABL1 4219/4885PIK3CD 3293/4885

“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.