SCHEMBL20179382

SCHEMBL20179382

CCC(C)CNc1nc(NC)c2nc(NCC3CC3)nc(NC)c2n1

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 3/20 0.36
CDK9 P50750 1/20 0.36
BCDIN3D Q7Z5W3 2/20 0.36
CCNA2 P20248 2/20 0.34
CCNA1 P78396 2/20 0.34
HRH4 Q9H3N8 1/20 0.33
CTSL P07711 1/20 0.33
KDM4E B2RXH2 2/20 0.32
ATM Q13315 1/20 0.31
TRIM58 Q8NG06 1/20 0.31
CCNE2 O96020 1/20 0.31
CCNE1 P24864 1/20 0.31
GPR39 O43194 1/20 0.30
ADRA2A P08913 1/20 0.30
NPY5R Q15761 1/20 0.30
KHK P50053 1/20 0.30

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
SCHEMBL16094309 0.85 HRH4 (0.40) BCDIN3DHRH4KDM4EATMTRIM58
SCHEMBL30560032 0.85 CDK2 (0.38) CDK2CDK9BCDIN3DCCNA2CCNA1
SCHEMBL20164687 0.85 CDK2 (0.38) CDK2CDK9BCDIN3DCCNA2CCNA1
SCHEMBL20164463 0.85 CDK2 (0.37) CDK2CDK9BCDIN3DCCNA2CCNA1
SCHEMBL20164481 0.85 CDK2 (0.37) CDK2CDK9BCDIN3DCCNA2CCNA1
SCHEMBL20164464 0.85 CDK2 (0.37) CDK2CDK9BCDIN3DCCNA2CCNA1
Hydrochloric Acid SCHEMBL20164747 0.84 CDK2 (0.38) CDK2CDK9BCDIN3DCCNA2CCNA1
Hydrochloric Acid SCHEMBL16093980 0.84 HRH4 (0.40) CDK2CDK9BCDIN3DHRH4KDM4E
Hydrochloric Acid SCHEMBL20164740 0.84 CDK2 (0.36) CDK2CDK9BCDIN3DCCNA2CCNA1
Hydrochloric Acid SCHEMBL20164433 0.84 CDK2 (0.36) CDK2CDK9BCDIN3DCCNA2CCNA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10294228-B2 Breathing control modulating compounds, and methods of making and using same NEURAD LTD. (IL) 2019-05-21 US disclosed
US-20180141953-A1 Novel Breathing Control Modulating Compounds, and Methods of Making and Using Same NEURAD LTD. (IL) 2018-05-24 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 (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-20180141953-A1 Novel Breathing Control Modulating Compounds, and Methods of Making and Using Same MTNR1B, CHRM3, PER2 CDK2 4026/4885CDK9 4092/4885BCDIN3D 1317/4885
US-10294228-B2 Breathing control modulating compounds, and methods of making and using same MTNR1B, PDE3A, CHRM3 CDK2 4190/4885CDK9 4292/4885BCDIN3D 1281/4885

“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.