SCHEMBL4448651

SCHEMBL4448651

Nc1nc(N)nc(CCc2nc(N)nc(N)n2)n1

nearest known ligand 0.77

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CASP1 P29466 1/20 0.77
CYP1A2 P05177 1/20 0.48
TSHR P16473 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
HRH4 Q9H3N8 3/20 0.36
LMNA P02545 3/20 0.34
HTT P42858 1/20 0.32
HSD17B10 Q99714 1/20 0.32
POLB P06746 1/20 0.32
ADORA3 P0DMS8 1/20 0.32
ADORA2A P29274 1/20 0.32
ADORA2B P29275 1/20 0.32
ADORA1 P30542 1/20 0.32

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
SCHEMBL1707515 0.87 CASP1 (0.88) CASP1CYP1A2TSHRSMN1; SMN2NPC1
SCHEMBL1707604 0.87 CASP1 (1.00) CASP1CYP1A2TSHRSMN1; SMN2NPC1
SCHEMBL11334327 0.84 CASP1 (0.83) CASP1CYP1A2TSHRSMN1; SMN2NPC1
SCHEMBL27570534 0.84 CASP1 (0.65) CASP1CYP1A2TSHRSMN1; SMN2NPC1
SCHEMBL10454786 0.84 CASP1 (0.83) CASP1CYP1A2TSHRSMN1; SMN2NPC1
SCHEMBL7174047 0.82 CASP1 (0.62) CASP1CYP1A2TSHRSMN1; SMN2NPC1
SCHEMBL671139 0.82 CASP1 (0.62) CASP1CYP1A2TSHRSMN1; SMN2NPC1
SCHEMBL27574589 0.80 CASP1 (0.59) CASP1CYP1A2TSHRSMN1; SMN2NPC1
SCHEMBL1707608 0.79 CASP1 (0.58) CASP1CYP1A2TSHRSMN1; SMN2NPC1
SCHEMBL11306480 0.78 CASP1 (0.56) CASP1CYP1A2TSHRSMN1; SMN2NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0044424-B1 FIRE-PROOF POLYAMIDE MOULDING AND SUCH-LIKE MOULDED ARTICLES BAYER AG (DE) 1984-04-25 EP claimed
EP-0044419-B1 FIRE-PROOF POLYAMIDE MOULDINGS BAYER AG (DE) 1984-04-04 EP claimed
US-4208320-A Flame retardant resin composition comprising reaction product of polyguanamine compound and cyanuric or isocyanuric acid compound ASAHI KASEI KOGYO KABUSHIKI KAISHA (JP) 1980-06-17 US claimed
EP-4685185-A1 CURABLE RESIN COMPOSITION, CURED PRODUCT, LAMINATE, AND CURABLE COMPOUND DIC Corporation (JP) 2026-01-28 EP disclosed
EP-4685172-A1 CURABLE COMPOUND, CURABLE RESIN COMPOSITION, CURED ARTICLE AND LAMINATE DIC Corporation (JP) 2026-01-28 EP disclosed
EP-4685171-A1 CURABLE COMPOUND, CURABLE RESIN COMPOSITION, CURED PRODUCT, AND LAMINATE DIC Corporation (JP) 2026-01-28 EP disclosed
US-12503480-B2 Cyclic phosphazene compound having oxaphosphorin ring-containing structure FUSHIMI PHARMACEUTICAL CO., LTD. (JP) 2025-12-23 US disclosed
EP-4663646-A1 PHOSPHORUS COMPOUND, METHOD FOR SYNTHESIZING SAME, AND USE THEREFOR SHIKOKU CHEMICALS CORPORATION (JP) 2025-12-17 EP disclosed
EP-4663669-A1 FLAME RETARDANT AND USE THEREOF SHIKOKU CHEMICALS CORPORATION (JP) 2025-12-17 EP disclosed
US-12468104-B2 Optical cable SUMITOMO ELECTRIC INDUSTRIES, LTD. (JP) 2025-11-11 US disclosed
US-20250320180-A1 HYDROXYL GROUP-CONTAINING COMPOUND, CURABLE RESIN COMPOSITION, CURED PRODUCT, AND LAYERED PRODUCT DIC CORPORATION (JP) 2025-10-16 US disclosed
US-4433085-A Triazolidine-3,5-dione/formaldehyde/amine condensates and compositions thereof BAYER AKTIENGESELLSCHAFT (DE) 1984-02-21 US disclosed
EP-0044423-B1 TRIAZOLIDINE-3,5-DIONE SALTS AND THEIR USE IN THE MODIFICATION OR FIRE-RESISTANT FINISHING OF POLYMERS BAYER AG (DE) 1983-09-28 EP disclosed
US-4396736-A TRIAZOLIDINE-3,5-DIONES OR DERIVATIVES BAYER AKTIENGESELLSCHAFT (DE) 1983-08-02 US disclosed
EP-0044424-A1 Fire-proof polyamide moulding and such-like moulded articles BAYER AG (DE) 1982-01-27 EP disclosed
EP-0044419-A1 Fire-proof polyamide mouldings BAYER AG (DE) 1982-01-27 EP disclosed
EP-0044417-A2 Triazolidine-3,5-dione condensed with amine-formaldehyde, and its preparation BAYER AG (DE) 1982-01-27 EP disclosed
EP-0044423-A1 Triazolidine-3,5-dione salts and their use in the modification or fire-resistant finishing of polymers BAYER AG (DE) 1982-01-27 EP disclosed
US-4249004-A FIREPROOFING FOR POLYMERS ASAHI KASEI KOGYO KABUSHIKI KAISHA (JP) 1981-02-03 US disclosed
US-4208320-A Flame retardant resin composition comprising reaction product of polyguanamine compound and cyanuric or isocyanuric acid compound ASAHI KASEI KOGYO KABUSHIKI KAISHA (JP) 1980-06-17 US 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-20250320180-A1 HYDROXYL GROUP-CONTAINING COMPOUND, CURABLE RESIN COMPOSITION, CURED PRODUCT, AND LAYERED PRODUCT RAD51, SEM1, GFER CASP1 453/4885CYP1A2 865/4885TSHR 4063/4885
US-12503480-B2 Cyclic phosphazene compound having oxaphosphorin ring-containing structure PFAS, PHOSPHO1, PAF1 CASP1 1133/4885CYP1A2 3817/4885TSHR 3387/4885

“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.