SCHEMBL1629560

SCHEMBL1629560

CCn1ccc2ccccc21

nearest known ligand 0.68

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CDK4 P11802 4/20 0.68
CCND1 P24385 4/20 0.68
HTR2A P28223 1/20 0.58
HTR2C P28335 1/20 0.58
KMT2A Q03164 1/20 0.55
HTR6 P50406 5/20 0.52
MAPK1 P28482 2/20 0.50
LMNA P02545 1/20 0.50
HTT P42858 1/20 0.50
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2C19 P33261 1/20 0.46

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
SCHEMBL29433250 1.00 CDK4 (0.68) CDK4CCND1HTR2AHTR2CKMT2A
Dimethylamine SCHEMBL8570899 0.94 CDK4 (0.61) CDK4CCND1HTR2AHTR2CKMT2A
SCHEMBL3393616 0.83 CDK4 (0.49) CDK4CCND1HTR2AHTR2CKMT2A
SCHEMBL29372496 0.83 CDK4 (0.76) CDK4CCND1HTR2AHTR2CKMT2A
SCHEMBL3595410 0.83 CDK4 (0.76) CDK4CCND1HTR2AHTR2CKMT2A
SCHEMBL11366447 0.81 CDK4 (1.00) CDK4CCND1HTR2AHTR2CKMT2A
Iodide SCHEMBL2581030 0.81 CDK4 (0.73) CDK4CCND1HTR2AHTR2CKMT2A
SCHEMBL25798842 0.81 CDK4 (0.45) CDK4CCND1HTR2AHTR2CKMT2A
SCHEMBL29374771 0.79 CDK4 (0.78) CDK4CCND1HTR2AHTR2CKMT2A
SCHEMBL464099 0.79 CDK4 (0.78) CDK4CCND1HTR2AHTR2CKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240317708-A1 INHIBITORS OF TRANSGLUTAMINASES ZEDIRA GMBH (DE) 2024-09-26 US claimed
CN-117903161-A Tetrathiodiindole compound and derivative, synthetic method and application thereof 衡阳师范学院 2024-04-19 CN claimed
CN-116969967-A Synthesis method of polysubstituted-5, 10-dihydro [1,2,3,4] tetrathio [5,6-b:7,8-b' ] diindole and derivative 衡阳师范学院 2023-10-31 CN claimed
CN-116813639-A Synthesis method of polysubstituted [1,2,3,4,5] pentathio [6,7-b ] indole and derivative 衡阳师范学院 2023-09-29 CN claimed
CN-112661750-B Ketene-bridged quinazolinone thiazole compound and preparation method and application thereof 西南大学 2022-10-21 CN claimed
CN-110092788-B Substituted [1,2,4] triazolo [1,5-a ] pyrimidin-7-yl compounds as PDE2 inhibitors 达特神经科学(开曼)有限公司 2022-02-25 CN claimed
CN-108658835-B Method for synthesizing indole-2-ketone compound 中国科学院成都有机化学有限公司 2021-12-03 CN claimed
EP-3597649-B1 COMPOSITIONS CONTAINING SUBSTITUTED [1,2,4]TRIAZOLO[1,5-A]PYRIMIDIN-7-YL COMPOUNDS AS PDE2 INHIBITORS DART NEUROSCIENCE CAYMAN LTD (KY) 2021-10-13 EP claimed
CN-112661750-A Ketene-bridged quinazolinone thiazole compound and preparation method and application thereof 西南大学 2021-04-16 CN claimed
CN-107619386-B Aromatic ring [ c ] carbazole derivative and synthesis method thereof 湘潭大学 2020-10-13 CN claimed
CN-107619386-A A kind of aromatic ring simultaneously [c] carbazole analog derivative and its synthetic method 湘潭大学 2018-01-23 CN claimed
CN-107235990-A Polysubstituted indoles bithiophene and derivative and its synthetic method 湘潭大学 2017-10-10 CN claimed
CN-106995400-A A kind of compound and its salt and its synthetic method 湘潭大学 2017-08-01 CN claimed
US-20170057967-A1 SUBSTITUTED [1,2,4]TRIAZOLO[1,5-A]PYRIMIDIN-7-YL COMPOUNDS AS PDE2 INHIBITORS DART NEUROSCIENCE LLC 2017-03-02 US claimed
CN-106459062-A Substituted [1,2,4] triazolo [1,5-a ] pyrimidin-7-yl compounds as PDE2 inhibitors 达特神经科学(开曼)有限公司 2017-02-22 CN claimed
CN-106117113-A Polysubstituted carbazole, derivant and synthetic method thereof 湘潭大学 2016-11-16 CN claimed
CN-101326201-B Catalyst components for the polymerization of olefins BASELL POLIOLEFINE SRL 2011-11-02 CN claimed
CN-1271051-C Aza aromatic ring substitutional four branched functional molecule material and preparation method UNIV FUDAN (CN) 2006-08-23 CN claimed
CN-1539820-A Aza aromatic ring substitutional four branched functional molecule material and preparation method 复旦大学 2004-10-27 CN claimed
US-4076537-A Light-sensitive materials containing organo tellurium or selenium compounds and sensitizers FUJI PHOTO FILM CO., LTD. (JA) 1978-02-28 US claimed

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-20170057967-A1 SUBSTITUTED [1,2,4]TRIAZOLO[1,5-A]PYRIMIDIN-7-YL COMPOUNDS AS PDE2 INHIBITORS PDE12, PDE2A, TDP2 CDK4 1809/4885CCND1 1845/4885HTR2A 413/4885
US-20240317708-A1 INHIBITORS OF TRANSGLUTAMINASES TGM2, TGM3, TGM1 CDK4 4312/4885CCND1 3961/4885HTR2A 3466/4885

“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.