SCHEMBL20093334

SCHEMBL20093334

CCN1CCC(C(C)I)CC1

nearest known ligand 0.42

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.42
HSD11B1 P28845 1/20 0.33
HRH3 Q9Y5N1 3/20 0.33
KDM4E B2RXH2 1/20 0.32
KMT2A Q03164 1/20 0.32

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
SCHEMBL13177778 0.83 SMN1; SMN2 (0.43) SMN1; SMN2HSD11B1HRH3KDM4EKMT2A
SCHEMBL824152 0.80 SMN1; SMN2 (0.45) SMN1; SMN2HSD11B1HRH3KDM4EKMT2A
SCHEMBL25147587 0.76 SMN1; SMN2 (0.47) SMN1; SMN2HSD11B1KDM4EKMT2A
SCHEMBL16928372 0.76 SMN1; SMN2 (0.47) SMN1; SMN2HSD11B1HRH3KDM4EKMT2A
SCHEMBL25147585 0.76 SMN1; SMN2 (0.47) SMN1; SMN2HSD11B1KDM4EKMT2A
SCHEMBL15806904 0.76 SMN1; SMN2 (0.42) SMN1; SMN2HSD11B1HRH3KDM4EKMT2A
SCHEMBL3476561 0.76 SMN1; SMN2 (0.47) SMN1; SMN2HSD11B1KDM4EKMT2A
SCHEMBL8282582 0.76 HSD17B10 (0.41) SMN1; SMN2
SCHEMBL8283376 0.75 NCF1 (0.37) HRH3
SCHEMBL24288645 0.74 SMN1; SMN2 (0.41) SMN1; SMN2HSD11B1HRH3KDM4EKMT2A

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-10695346-B2 4,6-pyrimidinylene derivatives and uses thereof DANA-FARBER CANCER INSTITUTE, INC. (US) 2020-06-30 US disclosed
US-20180110778-A1 4,6-PYRIMIDINYLENE DERIVATIVES AND USES THEREOF DANA-FARBER CANCER INSTITUTE, INC. (US) 2018-04-26 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-10695346-B2 4,6-pyrimidinylene derivatives and uses thereof CDK3, CDK1, CDK14 SMN1; SMN2 1640/4885HSD11B1 2324/4885HRH3 2385/4885
US-20180110778-A1 4,6-PYRIMIDINYLENE DERIVATIVES AND USES THEREOF CDKL4, CDKL5, PIP5K1A SMN1; SMN2 2185/4885HSD11B1 2662/4885HRH3 2842/4885

“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.