SCHEMBL6629756

SCHEMBL6629756

Cc1cc2cccc(N)c2c(N)c1C

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CD44 P16070 1/20 0.45
CYP3A4 P08684 4/20 0.44
TSHR P16473 3/20 0.44
PIK3CA P42336 1/20 0.44
KDM4E B2RXH2 4/20 0.38
TDP1 Q9NUW8 3/20 0.38
CYP1A2 P05177 1/20 0.38
ALDH1A1 P00352 6/20 0.38
HPGD P15428 4/20 0.35
HSD17B10 Q99714 2/20 0.35
KEAP1 Q14145 1/20 0.35
JAK2 O60674 1/20 0.35
RPS6KA3 P51812 1/20 0.35
MELK Q14680 1/20 0.35
STK24 Q9Y6E0 1/20 0.35
RAB9A P51151 4/20 0.33
L3MBTL1 Q9Y468 2/20 0.33
NPC1 O15118 2/20 0.33
GLO1 Q04760 1/20 0.33
LMNA P02545 3/20 0.33

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
SCHEMBL8878283 0.81 CD44 (0.42) CD44CYP3A4TSHRPIK3CAKDM4E
SCHEMBL8878281 0.81 ALDH1A1 (0.48) CD44CYP3A4TSHRPIK3CAKDM4E
SCHEMBL10053440 0.78 ALDH1A1 (0.44) CD44CYP3A4TSHRPIK3CAKDM4E
SCHEMBL6185564 0.75 CD44 (0.54) CD44CYP3A4TSHRPIK3CAKDM4E
SCHEMBL12202117 0.75 ALDH1A1 (0.44) CD44CYP3A4TSHRKDM4ETDP1
SCHEMBL5251202 0.73 ALDH1A1 (0.43) CD44CYP3A4TSHRPIK3CAKDM4E
SCHEMBL5747296 0.72 CYP3A4 (0.45) CD44CYP3A4TSHRPIK3CAKDM4E
SCHEMBL31484742 0.72 CD44 (0.54) CD44CYP3A4TSHRPIK3CAKDM4E
SCHEMBL4083590 0.72 CD44 (0.54) CD44CYP3A4TSHRPIK3CAKDM4E
SCHEMBL1840635 0.71 CYP1A2 (0.48) CYP3A4TSHRKDM4ETDP1CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5830931-A DYEING SYNTHETIC HYDROPHOBIC MATERIAL BAYER AKTIENGESELLSCHAFT (DE) 1998-11-03 US claimed
CN-116655674-B Method for synthesizing high-abundance boron 10 isotope biboronate 中国科学院兰州化学物理研究所 2024-04-16 CN disclosed
CN-116655674-A Method for synthesizing high-abundance boron 10 isotope biboronate 中国科学院兰州化学物理研究所 2023-08-29 CN disclosed
CN-103748065-B Method for producing 2-alkenylamine compound SHOWA DENKO KABUSHIKI KAISHA (JP) 2015-12-23 CN disclosed
CN-103764613-A Method for producing 2-alkenylamine compound SHOWA DENKO KK (JP) 2014-04-30 CN disclosed
CN-103748065-A Method for producing 2-alkenylamine compound SHOWA DENKO KK (JP) 2014-04-23 CN disclosed
US-6833455-B2 Coloring plastics BAYER AKTIENGESELLSCHAFT (DE) 2004-12-21 US disclosed
EP-1314754-B1 Bridged Perinones/Quinophtalones BAYER CHEMICALS AG (DE) 2004-09-22 EP disclosed
US-20030139498-A1 Bridged perinones/quinophthalones BAYER AKTIENGESELLSCHAFT (DE) 2003-07-24 US disclosed
EP-1118640-B1 Bridged perinone, quinophthalone and perinone-quinophthalone BAYER AG (DE) 2003-07-23 EP disclosed
US-5955614-A Bridged perinones/quinophthalones BAYER AKTIENGESELLSCHAFT (DE) 1999-09-21 US disclosed
US-5830931-A DYEING SYNTHETIC HYDROPHOBIC MATERIAL BAYER AKTIENGESELLSCHAFT (DE) 1998-11-03 US disclosed
EP-0827986-A2 Bridged perinone, quinophthalone and perinone-quinophthalone BAYER AG (DE) 1998-03-11 EP disclosed
EP-0780444-A2 Process to manufacture polycyclic compounds BAYER AG (DE) 1997-06-25 EP disclosed
US-5621027-A Dyestuffs for bulk dyeing plastics BAYER AKTIENGESELLSCHAFT (DE) 1997-04-15 US disclosed
US-5530130-A DYEING PLASTICS BAYER AKTIENGESELLSCHAFT (DE) 1996-06-25 US disclosed
EP-0683212-A1 New dyes for the bulk dyeing of synthetic materials BAYER AG (DE) 1995-11-22 EP disclosed
EP-0639624-A1 Phthaloperinone dyestuffs BAYER AG (DE) 1995-02-22 EP disclosed
CN-1034740-A Copolymer compositions SHELL INT RESEARCH (NL) 1989-08-16 CN disclosed
US-4024144-A SULFONIC ACID GROUPS BAYER AKTIENGESELLSCHAFT (DT) 1977-05-17 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 (1 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-20030139498-A1 Bridged perinones/quinophthalones CYP11B1, CYP1B1, CYP11B2 CD44 4716/4885CYP3A4 81/4885TSHR 3697/4885

“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.