SCHEMBL4257337

SCHEMBL4257337

N#CCc1c(-c2ccccc2)[nH]c2ccccc12

nearest known ligand 0.61

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
EGFR P00533 2/20 0.61
SRC P12931 1/20 0.61
HTR2A P28223 7/20 0.54
HTR2C P28335 6/20 0.54
CNR1 P21554 1/20 0.51
FNTA P49354 1/20 0.51
FNTB P49356 1/20 0.51
DRD2 P14416 3/20 0.50
ESR1 P03372 1/20 0.50
ESR2 Q92731 1/20 0.50
CYP19A1 P11511 1/20 0.49

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
SCHEMBL28405021 0.87 EGFR (0.55) EGFRSRCHTR2AHTR2CDRD2
SCHEMBL28156096 0.83 EGFR (0.63) EGFRHTR2AHTR2CCNR1FNTA
SCHEMBL28906516 0.80 HTR2A (0.62) HTR2AHTR2CCNR1DRD2ESR1
SCHEMBL6669255 0.79 EGFR (0.56) EGFRSRCHTR2AHTR2CFNTA
SCHEMBL1777136 0.79 CLK1 (0.49) EGFRSRCCNR1FNTAFNTB
SCHEMBL18301165 0.77 EGFR (0.63) EGFRSRCHTR2AHTR2CFNTA
SCHEMBL6669729 0.77 EGFR (0.63) EGFRSRCHTR2AHTR2CFNTA
SCHEMBL29915686 0.77 EGFR (0.63) EGFRSRC
SCHEMBL7127234 0.77 EGFR (0.63) EGFRSRC
SCHEMBL12877452 0.77 HTR2A (0.64) HTR2AHTR2CCNR1DRD2ESR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111251500-B Foaming polymer particles with skin dilatancy and preparation method thereof 厦门天策材料科技有限公司 2024-10-22 CN disclosed
CN-111253583-B Dilatant hybrid dynamic polymer and dilatant realization method thereof 厦门天策材料科技有限公司 2023-05-16 CN disclosed
CN-111040110-B Force-induced response dynamic polymer and application thereof 厦门天策材料科技有限公司 2022-03-11 CN disclosed
CN-113997650-A Multilayer structure assembly with force-induced responsiveness 厦门天策材料科技有限公司 2022-02-01 CN disclosed
CN-114001114-A Flexible energy absorption system with concave corner structure 厦门天策材料科技有限公司 2022-02-01 CN disclosed
CN-113980335-A 3D printing dilatancy energy-absorbing structure and preparation method thereof 厦门天策材料科技有限公司 2022-01-28 CN disclosed
CN-113978071-A Multilayer structure assembly 翁秋梅 2022-01-28 CN disclosed
CN-111378159-A Energy absorption method and material based on hybrid cross-linked dynamic polymer 翁秋梅 2020-07-07 CN disclosed
CN-111378160-A Combined energy absorption method and application thereof 翁秋梅 2020-07-07 CN disclosed
CN-111378138-A Combined energy absorption method and application thereof 翁秋梅 2020-07-07 CN disclosed
CN-111150196-A Electronic device package containing dilatant component 翁秋梅 2020-05-15 CN disclosed
CN-111150173-A Shock attenuation sole and shock attenuation shoes 翁秋梅 2020-05-15 CN disclosed
CN-111040110-A Force-induced response dynamic polymer and application thereof 翁秋梅 2020-04-21 CN disclosed
CN-111040202-A Combined hybrid dynamic polymer and application thereof 翁秋梅 2020-04-21 CN disclosed
CN-101687789-A Novel inhibitors hepatitis c virus replication INTERMUNE INC 2010-03-31 CN disclosed
EP-2134683-A2 NOVEL INHIBITORS HEPATITIS C VIRUS REPLICATION Intermune, Inc. (US) 2009-12-23 EP disclosed
US-20090047246-A1 NOVEL INHIBITORS OF HEPATITIS C VIRUS REPLICATION INTERMUNE, INC. (US) 2009-02-19 US disclosed
WO-2008100867-A2 NOVEL INHIBITORS HEPATITIS C VIRUS REPLICATION INTERMUNE, INC. (US) 2008-08-21 WO disclosed
US-7388100-B2 Tertiary amine compounds NISHIO TETSUYA 2008-06-17 US disclosed
US-20060145145-A1 Tertiary amine compounds, organic semiconductor devices using the same and organic electroluminescence devices using the same NISHIO TETSUYA 2006-07-06 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-20060145145-A1 Tertiary amine compounds, organic semiconductor devices using the same and organic electroluminescence devices using the same PIEZO1, YES1, SAT1 EGFR 3523/4885SRC 1608/4885HTR2A 1111/4885
US-20090047246-A1 NOVEL INHIBITORS OF HEPATITIS C VIRUS REPLICATION EIF2AK2, HAVCR2, HCCS EGFR 913/4885SRC 648/4885HTR2A 3961/4885

“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.