SCHEMBL4438733

SCHEMBL4438733

NC1=CC=C(c2ccc(N)cc2)C(N)(N)C1

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.39
TDP1 Q9NUW8 2/20 0.39
ALDH1A1 P00352 1/20 0.39
TP53 P04637 1/20 0.39
TAAR1 Q96RJ0 1/20 0.33
HSD17B10 Q99714 1/20 0.33
MEN1 O00255 1/20 0.32
MAPT P10636 1/20 0.32
KMT2A Q03164 1/20 0.32
APP P05067 1/20 0.31

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
SCHEMBL8914064 0.82 CYP3A4 (0.37) CYP3A4TDP1ALDH1A1TP53TAAR1
SCHEMBL8086732 0.78 CYP3A4 (0.37) CYP3A4TDP1ALDH1A1TP53TAAR1
SCHEMBL2807841 0.78 CYP3A4 (0.37) CYP3A4TDP1ALDH1A1TP53TAAR1
SCHEMBL8089981 0.74 ALDH1A1 (0.33) CYP3A4TDP1ALDH1A1TP53
SCHEMBL3787796 0.74 TDP1 (0.33) CYP3A4TDP1ALDH1A1TP53HSD17B10
SCHEMBL298214 0.74 KIF11 (0.37) CYP3A4TDP1ALDH1A1TP53
SCHEMBL5080738 0.72 ALDH1A1 (0.36) CYP3A4TDP1ALDH1A1TP53HSD17B10
SCHEMBL2767697 0.67 ESR1 (0.37) CYP3A4ALDH1A1TP53HSD17B10MEN1
SCHEMBL41543 0.64 CYP3A4 (0.39) CYP3A4TDP1ALDH1A1TP53TAAR1
Hydrochloric Acid SCHEMBL3286109 0.63 CYP3A4 (0.37) CYP3A4TDP1ALDH1A1TP53TAAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118620273-A Preparation method and application of polyimide/bismuth molybdate aerogel photocatalyst 山东钢铁股份有限公司 2024-09-10 CN claimed
CN-115073805-B Mesoporous PI aerogel and preparation method thereof 山东省科学院新材料研究所 2024-03-22 CN claimed
CN-116854982-A TPU (thermoplastic polyurethane) reinforced polyimide aerogel and preparation method thereof 山东省科学院新材料研究所 2023-10-10 CN claimed
CN-116061098-A High-temperature-resistant high-strength grinding wheel bushing 江苏丰锐磨料磨具有限公司 2023-05-05 CN claimed
CN-115073805-A Mesoporous PI aerogel and preparation method thereof 山东省科学院新材料研究所 2022-09-20 CN claimed
CN-109622043-B PI/Ag aerogel composite photocatalytic material and preparation method and application thereof 山东省科学院新材料研究所 2021-11-02 CN claimed
CN-109622043-A A kind of PI/Ag aeroge composite photocatalyst material and its preparation method and application 山东省科学院新材料研究所 2019-04-16 CN claimed
CN-108479835-A A kind of C (N)/g-C3N4/ PI aeroge composite photoelectric catalysis materials and preparation method thereof and its application 山东省科学院新材料研究所 2018-09-04 CN claimed
CN-106633168-A Preparation method of monodisperse and large-particle-diameter polymer microspheres 扬州倍赛德生物科技有限公司 2017-05-10 CN claimed
CN-118620273-A Preparation method and application of polyimide/bismuth molybdate aerogel photocatalyst 山东钢铁股份有限公司 2024-09-10 CN disclosed
CN-115073805-B Mesoporous PI aerogel and preparation method thereof 山东省科学院新材料研究所 2024-03-22 CN disclosed
CN-116854982-A TPU (thermoplastic polyurethane) reinforced polyimide aerogel and preparation method thereof 山东省科学院新材料研究所 2023-10-10 CN disclosed
CN-116061098-A High-temperature-resistant high-strength grinding wheel bushing 江苏丰锐磨料磨具有限公司 2023-05-05 CN disclosed
CN-115073805-A Mesoporous PI aerogel and preparation method thereof 山东省科学院新材料研究所 2022-09-20 CN disclosed
CN-107936247-A A kind of difficulty soluble salt and polyimide aerogels composite photo-catalyst and preparation method thereof 山东省科学院新材料研究所 2018-04-20 CN disclosed
CN-106633168-A Preparation method of monodisperse and large-particle-diameter polymer microspheres 扬州倍赛德生物科技有限公司 2017-05-10 CN disclosed
US-20090148834-A1 Methods of use of alpha-methylacyl-CoA racemase in hormone refractory and metastatic prostate cancers MILLENNIUM PHARMACEUTICALS, INC. 2009-06-11 US disclosed
US-20060041016-A1 Composition and method for the treatment of psoriasis SYNPHORA AB (SE) 2006-02-23 US disclosed
US-20020123081-A1 Methods of use of alpha-methylacyl-CoA racemase in hormone refractory and metastatic prostate cancers MILLENNIUM PHARMACEUTICALS, INC. 2002-09-05 US disclosed
WO-2002027324-A2 METHODS OF USE OF ALPHA-METHYLACYL-CoA RACEMASE IN HORMONE REFRACTORY AND METASTATIC PROSTATE CANCERS MILLENNIUM PHARMACEUTICALS, INC. (US) 2002-04-04 WO 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-20060041016-A1 Composition and method for the treatment of psoriasis PTGES2, PTGS2, PTGES CYP3A4 426/4885TDP1 2498/4885ALDH1A1 621/4885

“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.