SCHEMBL418336

SCHEMBL418336

CC(C)(C)Cn1ccc2ccccc21

nearest known ligand 0.61

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CDK4 P11802 4/20 0.61
CCND1 P24385 4/20 0.61
HTR2A P28223 1/20 0.53
HTR2C P28335 1/20 0.53
KMT2A Q03164 1/20 0.50
HTR6 P50406 5/20 0.47
MAPK1 P28482 2/20 0.46
HTT P42858 1/20 0.46
LMNA P02545 1/20 0.46
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2C19 P33261 1/20 0.43

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
SCHEMBL13157277 0.85 CDK4 (0.57) CDK4CCND1HTR2AHTR2CKMT2A
SCHEMBL18405592 0.85 CDK4 (0.57) CDK4CCND1HTR2AHTR2CKMT2A
SCHEMBL24109782 0.82 HTR2A (0.56) CDK4CCND1HTR2AHTR2CKMT2A
SCHEMBL418136 0.81 CDK4 (0.68) CDK4CCND1HTR2AHTR2CKMT2A
SCHEMBL12605582 0.80 CDK4 (0.61) CDK4CCND1HTR2AHTR2CKMT2A
SCHEMBL4596619 0.79 KMT2A (0.58) CDK4CCND1HTR2AHTR2CKMT2A
SCHEMBL1629560 0.77 CDK4 (0.68) CDK4CCND1HTR2AHTR2CKMT2A
SCHEMBL29433250 0.77 CDK4 (0.68) CDK4CCND1HTR2AHTR2CKMT2A
SCHEMBL11366447 0.76 CDK4 (1.00) CDK4CCND1HTR2AHTR2CKMT2A
SCHEMBL24143572 0.76 HTR2C (0.57) HTR2AHTR2CCYP1A2

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230399297-A1 Novel Glutamine Analogs JACOBIO PHARMACEUTICALS CO., LTD (CN) 2023-12-14 US disclosed
US-20230399297-A1 Novel Glutamine Analogs JACOBIO PHARMACEUTICALS CO., LTD (CN) 2023-12-14 US disclosed
US-11560370-B1 5-membered heteroaryl carboxamide compounds for treatment of HBV ASSEMBLY BIOSCIENCES, INC. (US) 2023-01-24 US disclosed
US-20210230183-A1 COMPOSITIONS AND METHODS FOR TREATING CANCER THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2021-07-29 US disclosed
US-20190119295-A1 COMPOSITIONS AND METHODS FOR TREATING CANCER THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2019-04-25 US disclosed
US-9175038-B2 Peptide mimetic ligands of polo-like kinase 1 polo box domain and methods of use THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH & HUMAN SERVICES (US) 2015-11-03 US disclosed
US-20120065146-A1 PEPTIDE MIMETIC LIGANDS OF POLO-LIKE KINASE 1 POLO BOX DOMAIN AND METHODS OF USE GOVERNMENT OF THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH (US) 2012-03-15 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 (5 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-20210230183-A1 COMPOSITIONS AND METHODS FOR TREATING CANCER KRAS, HRAS, NRAS CDK4 156/4885CCND1 1591/4885HTR2A 4714/4885
US-20120065146-A1 PEPTIDE MIMETIC LIGANDS OF POLO-LIKE KINASE 1 POLO BOX DOMAIN AND METHODS OF USE PLK1, PLK2, PLK4 CDK4 371/4885CCND1 760/4885HTR2A 4228/4885
US-20230399297-A1 Novel Glutamine Analogs GLUL, GATD3, GLS CDK4 2514/4885CCND1 2772/4885HTR2A 3583/4885
US-11560370-B1 5-membered heteroaryl carboxamide compounds for treatment of HBV HCCS, HAVCR2, MAVS CDK4 503/4885CCND1 2631/4885HTR2A 3788/4885
US-20190119295-A1 COMPOSITIONS AND METHODS FOR TREATING CANCER KRAS, HRAS, NRAS CDK4 156/4885CCND1 1591/4885HTR2A 4714/4885

“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.