SCHEMBL3784789

SCHEMBL3784789

Cc1cc(N)ccc1-c1cccc(N)c1C

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 4/20 0.48
TSHR P16473 3/20 0.48
PIK3CA P42336 1/20 0.48
ALDH1A1 P00352 7/20 0.45
CASP1 P29466 3/20 0.43
PDE10A Q9Y233 1/20 0.41
PLA2G7 Q13093 1/20 0.41
ANPEP P15144 1/20 0.40
DPP4 P27487 1/20 0.40
POLB P06746 2/20 0.39
CD44 P16070 1/20 0.39
SMN1; SMN2 Q16637 4/20 0.38
NPC1 O15118 3/20 0.38
RAB9A P51151 3/20 0.38
TP53 P04637 1/20 0.38
MAPK1 P28482 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
HPGD P15428 3/20 0.38
MEN1 O00255 3/20 0.37
KMT2A Q03164 3/20 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
SCHEMBL30839804 1.00 CYP3A4 (0.48) CYP3A4TSHRPIK3CAALDH1A1CASP1
SCHEMBL29683594 1.00 CYP3A4 (0.48) CYP3A4TSHRPIK3CAALDH1A1CASP1
SCHEMBL6011489 0.86 CYP3A4 (0.50) CYP3A4TSHRPIK3CAALDH1A1CASP1
SCHEMBL29103604 0.86 ALDH1A1 (0.43) CYP3A4TSHRPIK3CAALDH1A1CASP1
SCHEMBL31661352 0.85 PLA2G7 (0.58) CYP3A4TSHRPIK3CAALDH1A1CASP1
SCHEMBL3785048 0.85 PLA2G7 (0.58) CYP3A4TSHRPIK3CAALDH1A1CASP1
SCHEMBL3789437 0.84 ALDH1A1 (0.54) CYP3A4TSHRALDH1A1CASP1PDE10A
SCHEMBL186969 0.84 ALDH1A1 (0.48) CYP3A4TSHRPIK3CAALDH1A1CASP1
SCHEMBL8146041 0.81 ALDH1A1 (0.54) CYP3A4TSHRALDH1A1CASP1PDE10A
SCHEMBL2206282 0.81 CYP3A4 (0.72) CYP3A4TSHRPIK3CAALDH1A1CASP1

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 20 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
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-20250230274-A1 POLYCAPROLACTONE POLYOLS, POLYURETHANE DISPERSIONS, AND METHODS OF MAKING AND USING THE SAME INGEVITY UK LTD (GB) 2025-07-17 US 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
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-2025149744-A1 POLYCAPROLACTONE POLYOLS, POLYURETHANE DISPERSIONS, AND METHODS OF MAKING AND USING THE SAME INGEVITY UK LTD (GB) 2025-07-17 WO disclosed
CN-120092033-A Novel polyurethane or polyurethane-urea compositions with enhanced low temperature properties 英格维蒂英国有限公司 2025-06-03 CN disclosed
US-20240110002-A1 NOVEL POLYURETHANE OR POLYURETHANE-UREA COMPOSITION WITH ENHANCED LOW TEMPERATURE PERFORMANCE INGEVITY UK LTD (GB) 2024-04-04 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-20230331927-A1 POLYMETALLOXANE-CONTAINING COMPOSITION, CURED BODY, MEMBER, ELECTRONIC COMPONENT, AND FIBER TORAY INDUSTRIES, INC. (JP) 2023-10-19 US disclosed
US-20210139390-A1 PRODUCTION METHOD OF ORGANIC COMPOUND UNITIKA LTD. (JP) 2021-05-13 US disclosed
EP-3819283-A1 METHOD FOR PRODUCING ORGANIC COMPOUND Unitika Ltd. (JP) 2021-05-12 EP 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.