SCHEMBL685458

SCHEMBL685458

Cc1ccc2ncnc(N)c2c1

nearest known ligand 0.68

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MAP4K4 O95819 16/20 0.68
PI4KA P42356 2/20 0.53
PI4K2B Q8TCG2 2/20 0.53
PI4K2A Q9BTU6 2/20 0.53
PI4KB Q9UBF8 2/20 0.53
IP6K1 Q92551 1/20 0.51

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
SCHEMBL31216400 1.00 MAP4K4 (0.68) MAP4K4PI4KAPI4K2BPI4K2API4KB
SCHEMBL28001861 0.85 MAP4K4 (0.74) MAP4K4
SCHEMBL7376295 0.84 MAP4K4 (0.54) MAP4K4PI4KAPI4K2BPI4K2API4KB
SCHEMBL15587433 0.81 MAP4K4 (1.00) MAP4K4
SCHEMBL29713890 0.79 MAP4K4 (0.66) MAP4K4PI4KAPI4K2BPI4K2API4KB
SCHEMBL4692556 0.79 MAP4K4 (0.66) MAP4K4PI4KAPI4K2BPI4K2API4KB
SCHEMBL6956273 0.79 HTT (0.53) MAP4K4
Toluene SCHEMBL27551696 0.79 MAP4K4 (0.61) MAP4K4PI4KAPI4K2BPI4K2API4KB
SCHEMBL30943393 0.79 MAP4K4 (0.61) MAP4K4
Water SCHEMBL28851833 0.78 MAP4K4 (0.64) MAP4K4PI4KAPI4K2BPI4K2API4KB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119285628-A Compounds for the treatment and prophylaxis of respiratory syncytial virus infection diseases 石药集团中奇制药技术(石家庄)有限公司 2025-01-10 CN disclosed
CN-118852149-A Compound for treating or preventing RSV virus diseases 石药集团中奇制药技术(石家庄)有限公司 2024-10-29 CN disclosed
EP-3466929-B1 HETEROCYCLIC COMPOUNDS USEFUL AS PDK1 INHIBITORS MILLENNIUM PHARM INC (US) 2023-09-06 EP disclosed
US-11311520-B2 Substituted dihydroimidazopyridinediones as MKNK1 and MKNK2 inhibitors BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2022-04-26 US disclosed
EP-3613743-B1 PROCESSES FOR THE PREPARATION OF 1H-PYRAZOLO[3,4-D]PYRIMIDIN-4-AMINE DERIVATIVES INTELLIKINE LLC (US) 2022-03-16 EP disclosed
EP-3441392-B1 A PHARMACEUTICAL COMPOSITION FOR ORAL ADMINISTRATION INTELLIKINE LLC (US) 2021-12-15 EP disclosed
EP-3811974-A1 TREATMENT OF CANCERS USING PI3 KINASE ISOFORM MODULATORS Infinity Pharmaceuticals, Inc. (US) 2021-04-28 EP disclosed
US-20210085656-A1 SUBSTITUTED DIHYDROIMIDAZOPYRIDINEDIONES AS MKNK1 AND MKNK2 INHIBITORS BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2021-03-25 US disclosed
WO-2020239999-A1 SMALL MOLECULE INHIBITORS OF NF-kB INDUCING KINASE JANSSEN PHARMACEUTICA NV (BE) 2020-12-03 WO disclosed
US-20200190091-A1 NITROGENOUS HETEROCYCLIC COMPOUND, PREPARATION METHOD, INTERMEDIATE, COMPOSITION, AND APPLICATION SHANGHAI PHARMACEUTICALS HOLDING CO., LTD. (CN) 2020-06-18 US disclosed
WO-2004031145-A2 LACTAM-CONTAINING DIAMINOALKYL, BETA-AMINOACIDS, ALPHA-AMINOACIDS AND DERIVATIVES THEREOF AS FACTOR XA INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2004-04-15 WO disclosed
WO-2003099276-A1 1,1-DISUBSTITUTED CYCLOALKYL DERIVATIVES AS FACTOR XA INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2003-12-04 WO disclosed
WO-2003047520-A2 SUBSTITUTED AMINO METHYL FACTOR Xa INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2003-06-12 WO disclosed
WO-2003048081-A2 GLYCINAMIDES AS FACTOR XA INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2003-06-12 WO disclosed
WO-2003026652-A1 LACTAM-CONTAINING COMPOUNDS AND DERIVATIVES THEREOF AS FACTOR XA INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2003-04-03 WO disclosed
US-4543356-A Quinazoline derivatives FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1985-09-24 US disclosed
EP-0030156-B1 QUINAZOLINE DERIVATIVES, PROCESSES FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1984-03-21 EP disclosed
US-4429126-A ANTIASTHMA FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1984-01-31 US disclosed
US-4377580-A ANTIALLERGENIC AGENTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1983-03-22 US disclosed
EP-0030156-A1 Quinazoline derivatives, processes for their preparation and pharmaceutical compositions containing them FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1981-06-10 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-20200190091-A1 NITROGENOUS HETEROCYCLIC COMPOUND, PREPARATION METHOD, INTERMEDIATE, COMPOSITION, AND APPLICATION ERBB2, EGFR, ERBB4 MAP4K4 349/4885PI4KA 273/4885PI4K2B 354/4885
US-20210085656-A1 SUBSTITUTED DIHYDROIMIDAZOPYRIDINEDIONES AS MKNK1 AND MKNK2 INHIBITORS MKNK1, MKNK2, MAP4K5 MAP4K4 9/4885PI4KA 151/4885PI4K2B 171/4885
US-11311520-B2 Substituted dihydroimidazopyridinediones as MKNK1 and MKNK2 inhibitors MKNK1, MKNK2, MAP4K5 MAP4K4 9/4885PI4KA 151/4885PI4K2B 171/4885

“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.