SCHEMBL3786474

SCHEMBL3786474

Cc1cccc(N)c1-c1cccc(N)c1C

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 3/20 0.56
TSHR P16473 2/20 0.56
PIK3CA P42336 1/20 0.56
DPP4 P27487 1/20 0.50
CD44 P16070 1/20 0.50
ALDH1A1 P00352 4/20 0.46
TDP1 Q9NUW8 2/20 0.46
HPGD P15428 2/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
ADORA2A P29274 3/20 0.42
PTPRC P08575 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.40
MYC P01106 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA7 P43166 1/20 0.38
CA9 Q16790 1/20 0.38
FGR P09769 1/20 0.37
PIM1 P11309 1/20 0.37
MAOA P21397 1/20 0.37

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
SCHEMBL30839808 1.00 CYP3A4 (0.56) CYP3A4TSHRPIK3CADPP4CD44
SCHEMBL31607703 1.00 CYP3A4 (0.56) CYP3A4TSHRPIK3CADPP4CD44
SCHEMBL22675646 0.84 CYP3A4 (0.59) CYP3A4TSHRPIK3CADPP4CD44
SCHEMBL9678804 0.84 CYP3A4 (0.54) CYP3A4TSHRPIK3CADPP4CD44
SCHEMBL3794845 0.84 ALDH1A1 (0.55) CYP3A4TSHRPIK3CADPP4CD44
SCHEMBL30839749 0.83 CYP3A4 (0.72) CYP3A4TSHRPIK3CADPP4CD44
SCHEMBL2206282 0.83 CYP3A4 (0.72) CYP3A4TSHRPIK3CADPP4CD44
SCHEMBL3790040 0.82 CD44 (0.62) CYP3A4TSHRPIK3CADPP4CD44
SCHEMBL6930545 0.82 DPP4 (0.46) CYP3A4TSHRPIK3CADPP4CD44
SCHEMBL7939779 0.82 CYP3A4 (0.56) CYP3A4TSHRPIK3CADPP4CD44

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20260015454-A1 HIGH PERFORMANCE, AMBIENT CURE POLYURETHANES COMPRISING POLYCAPROLACTONE POLYOLS INGEVITY UK LTD (GB) 2026-01-15 US claimed
EP-4594381-A1 NOVEL POLYURETHANE OR POLYURETHANE-UREA COMPOSITION WITH ENHANCED LOW TEMPERATURE PERFORMANCE Ingevity UK Ltd (GB) 2025-08-06 EP claimed
US-20250243313-A1 POLYCAPROLACTONE POLYOLS, ELASTOMERS, AND METHODS OF MAKING AND USING THE SAME INGEVITY UK LTD (GB) 2025-07-31 US claimed
US-20250230274-A1 POLYCAPROLACTONE POLYOLS, POLYURETHANE DISPERSIONS, AND METHODS OF MAKING AND USING THE SAME INGEVITY UK LTD (GB) 2025-07-17 US claimed
WO-2025149744-A1 POLYCAPROLACTONE POLYOLS, POLYURETHANE DISPERSIONS, AND METHODS OF MAKING AND USING THE SAME INGEVITY UK LTD (GB) 2025-07-17 WO claimed
US-20240110002-A1 NOVEL POLYURETHANE OR POLYURETHANE-UREA COMPOSITION WITH ENHANCED LOW TEMPERATURE PERFORMANCE INGEVITY UK LTD (GB) 2024-04-04 US claimed
WO-2024068129-A1 NOVEL POLYURETHANE OR POLYURETHANE-UREA COMPOSITION WITH ENHANCED LOW TEMPERATURE PERFORMANCE INGEVITY UK LTD. (GB) 2024-04-04 WO claimed
US-20260015454-A1 HIGH PERFORMANCE, AMBIENT CURE POLYURETHANES COMPRISING POLYCAPROLACTONE POLYOLS INGEVITY UK LTD (GB) 2026-01-15 US disclosed
EP-4594381-A1 NOVEL POLYURETHANE OR POLYURETHANE-UREA COMPOSITION WITH ENHANCED LOW TEMPERATURE PERFORMANCE Ingevity UK Ltd (GB) 2025-08-06 EP disclosed
US-20250243313-A1 POLYCAPROLACTONE POLYOLS, ELASTOMERS, AND METHODS OF MAKING AND USING THE SAME INGEVITY UK LTD (GB) 2025-07-31 US disclosed
WO-2025149744-A1 POLYCAPROLACTONE POLYOLS, POLYURETHANE DISPERSIONS, AND METHODS OF MAKING AND USING THE SAME INGEVITY UK LTD (GB) 2025-07-17 WO disclosed
US-20250230274-A1 POLYCAPROLACTONE POLYOLS, POLYURETHANE DISPERSIONS, AND METHODS OF MAKING AND USING THE SAME INGEVITY UK LTD (GB) 2025-07-17 US disclosed
WO-2024068129-A1 NOVEL POLYURETHANE OR POLYURETHANE-UREA COMPOSITION WITH ENHANCED LOW TEMPERATURE PERFORMANCE INGEVITY UK LTD. (GB) 2024-04-04 WO disclosed
US-20240110002-A1 NOVEL POLYURETHANE OR POLYURETHANE-UREA COMPOSITION WITH ENHANCED LOW TEMPERATURE PERFORMANCE INGEVITY UK LTD (GB) 2024-04-04 US disclosed
US-20100087680-A1 METHOD FOR PRODUCING BIARYL COMPOUND SUMITOMO CHEMICAL COMPANY LIMITED (JP) 2010-04-08 US disclosed
EP-1914221-A1 PROCESS FOR PRODUCING BIARYL COMPOUND Sumitomo Chemical Company, Limited (JP) 2008-04-23 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 (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-20260015454-A1 HIGH PERFORMANCE, AMBIENT CURE POLYURETHANES COMPRISING POLYCAPROLACTONE POLYOLS PUF60, MORF4L1, C9 CYP3A4 1622/4885TSHR 4502/4885PIK3CA 2165/4885
US-20100087680-A1 METHOD FOR PRODUCING BIARYL COMPOUND NISCH, BLVRB, BBOX1 CYP3A4 177/4885TSHR 1688/4885PIK3CA 2327/4885

“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.