SCHEMBL13005298

SCHEMBL13005298

CC(C)CCCn1ccc2ccccc21

nearest known ligand 0.81

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CDK4 P11802 4/20 0.70
CCND1 P24385 4/20 0.70
HTR2A P28223 1/20 0.56
HTR2C P28335 1/20 0.56
MAPK1 P28482 2/20 0.52
CYP1A2 P05177 1/20 0.52
CYP3A4 P08684 1/20 0.52
CYP2C19 P33261 1/20 0.52
P2RX7 Q99572 1/20 0.49
HTT P42858 1/20 0.49
LMNA P02545 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
SCHEMBL10412119 0.89 CDK4 (0.68) CDK4CCND1HTR2AHTR2CMAPK1
SCHEMBL29928685 0.89 CDK4 (0.68) CDK4CCND1HTR2AHTR2CMAPK1
SCHEMBL19783670 0.87 CDK4 (0.66) CDK4CCND1HTR2AHTR2CMAPK1
SCHEMBL11959512 0.85 CDK4 (0.64) CDK4CCND1HTR2AHTR2CMAPK1
SCHEMBL29374771 0.80 CDK4 (0.78) CDK4CCND1HTR2AHTR2CMAPK1
SCHEMBL464099 0.80 CDK4 (0.78) CDK4CCND1HTR2AHTR2CMAPK1
SCHEMBL22194171 0.80 CDK4 (0.60) CDK4CCND1HTR2AHTR2CMAPK1
SCHEMBL15178200 0.80 CDK4 (0.60) CDK4CCND1HTR2AHTR2CMAPK1
SCHEMBL11366447 0.79 CDK4 (1.00) CDK4CCND1HTR2AHTR2CMAPK1
SCHEMBL22930048 0.79 HTR2C (0.59) CDK4CCND1HTR2AHTR2CP2RX7

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-11654143-B2 Therapeutic combinations of a BTK inhibitor, a PI3K inhibitor, a JAK-2 inhibitor, and/or a BCL-2 inhibitor ACERTA PHARMA B.V. (NL) 2023-05-23 US disclosed
US-11654143-B2 Therapeutic combinations of a BTK inhibitor, a PI3K inhibitor, a JAK-2 inhibitor, and/or a BCL-2 inhibitor ACERTA PHARMA B.V. (NL) 2023-05-23 US disclosed
US-11166951-B2 Therapeutic combinations of a BTK inhibitor, a PI3K inhibitor, a JAK-2 inhibitor, and/or a BCL-2 inhibitor ACERTA PHARMA B.V. (NL) 2021-11-09 US disclosed
US-10905769-B2 Peptide and peptide mimetic binding antagonists 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) 2021-02-02 US disclosed
US-20170231986-A1 Therapeutic Combinations of a BTK Inhibitor, a PI3K Inhibitor, a JAK-2 Inhibitor, and/or a BCL-2 Inhibitor ACERTA PHARMA B.V. (NL) 2017-08-17 US disclosed
US-20170231986-A1 Therapeutic Combinations of a BTK Inhibitor, a PI3K Inhibitor, a JAK-2 Inhibitor, and/or a BCL-2 Inhibitor ACERTA PHARMA B.V. (NL) 2017-08-17 US disclosed
US-7851637-B2 Compounds and methods for inhibiting the interaction of BCL proteins with binding partners INFINITY PHARMACEUTICALS, INC. (US) 2010-12-14 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 (4 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-20170231986-A1 Therapeutic Combinations of a BTK Inhibitor, a PI3K Inhibitor, a JAK-2 Inhibitor, and/or a BCL-2 Inhibitor BTK, JAK2, BCL9 CDK4 287/4885CCND1 543/4885HTR2A 2342/4885
US-11166951-B2 Therapeutic combinations of a BTK inhibitor, a PI3K inhibitor, a JAK-2 inhibitor, and/or a BCL-2 inhibitor BTK, JAK2, BCL9 CDK4 287/4885CCND1 543/4885HTR2A 2342/4885
US-10905769-B2 Peptide and peptide mimetic binding antagonists of polo-like kinase 1 polo box domain and methods of use PLK1, POLR1E, POLK CDK4 848/4885CCND1 1438/4885HTR2A 4587/4885
US-11654143-B2 Therapeutic combinations of a BTK inhibitor, a PI3K inhibitor, a JAK-2 inhibitor, and/or a BCL-2 inhibitor BTK, JAK2, BCL9 CDK4 287/4885CCND1 543/4885HTR2A 2342/4885

“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.