SCHEMBL21743299

SCHEMBL21743299

CNc1ccnc(Nc2cccc(OCC(O)CN3CCCC3)c2)n1

nearest known ligand 0.57

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.57
ACE2 Q9BYF1 1/20 0.56
ABCB1 P08183 4/20 0.50
KDM4E B2RXH2 2/20 0.49
EGFR P00533 1/20 0.48
CYP2D6 P10635 2/20 0.48
TSHR P16473 1/20 0.48
HIF1A Q16665 1/20 0.48
CDK4 P11802 2/20 0.48
CDK2 P24941 2/20 0.48
NPSR1 Q6W5P4 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
ATM Q13315 1/20 0.46
GAA P10253 1/20 0.45
MAPK1 P28482 1/20 0.45
SYK P43405 1/20 0.45
CYP2C19 P33261 1/20 0.45
TP53 P04637 1/20 0.44

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
SCHEMBL19700631 1.00 SMN1; SMN2 (0.57) SMN1; SMN2ACE2ABCB1KDM4EEGFR
SCHEMBL19700632 1.00 SMN1; SMN2 (0.57) SMN1; SMN2ACE2ABCB1KDM4EEGFR
SCHEMBL30367379 0.89 EGFR (0.48) SMN1; SMN2ACE2EGFRCDK4CDK2
SCHEMBL19477506 0.89 EGFR (0.48) SMN1; SMN2ACE2EGFRCDK4CDK2
SCHEMBL19477507 0.83 EHMT2 (0.54) ABCB1KDM4ECYP2D6TSHRCDK4
SCHEMBL19477070 0.83 EHMT2 (0.54) ABCB1KDM4ECYP2D6TSHRCDK4
SCHEMBL19477068 0.83 EHMT2 (0.54) ABCB1KDM4ECYP2D6TSHRCDK4
SCHEMBL19476605 0.82 IGF1R (0.58) KDM4EEGFRTSHRCDK2L3MBTL1
SCHEMBL19476521 0.81 EHMT2 (0.52) KDM4EEGFRCYP2D6TSHRCDK4
SCHEMBL19476519 0.81 EHMT2 (0.52) KDM4EEGFRCYP2D6TSHRCDK4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230364086-A1 COMBINATION THERAPIES WITH EHMT2 INHIBITORS Epizyme, Inc. 2023-11-16 US disclosed
US-11672800-B2 Combination therapies with EHMT2 inhibitors Epizyme, Inc. (US) 2023-06-13 US disclosed
US-20210213014-A1 METHODS OF USING EHMT2 INHIBITORS IN IMMUNOTHERAPIES Epizyme, Inc. 2021-07-15 US disclosed
US-20210198277-A1 AMINE-SUBSTITUTED ARYL OR HETEROARYL COMPOUNDS Epizyme, Inc. 2021-07-01 US disclosed
US-20200113901-A1 METHODS OF USING EHMT2 INHIBITORS Epizyme, Inc. 2020-04-16 US disclosed
US-20200054635-A1 COMBINATION THERAPIES WITH EHMT2 INHIBITORS Epizyme, Inc. 2020-02-20 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 (6 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-20230364086-A1 COMBINATION THERAPIES WITH EHMT2 INHIBITORS EHMT2, BHMT, SHMT2 SMN1; SMN2 2231/4885ACE2 868/4885ABCB1 525/4885
US-20210198277-A1 AMINE-SUBSTITUTED ARYL OR HETEROARYL COMPOUNDS SHMT1, BHMT, BHMT2 SMN1; SMN2 504/4885ACE2 1947/4885ABCB1 316/4885
US-20200054635-A1 COMBINATION THERAPIES WITH EHMT2 INHIBITORS EHMT2, BHMT, SHMT2 SMN1; SMN2 2231/4885ACE2 868/4885ABCB1 525/4885
US-20200113901-A1 METHODS OF USING EHMT2 INHIBITORS EHMT2, EHMT1, BHMT SMN1; SMN2 193/4885ACE2 1825/4885ABCB1 1237/4885
US-11672800-B2 Combination therapies with EHMT2 inhibitors EHMT2, BHMT, SHMT2 SMN1; SMN2 2231/4885ACE2 868/4885ABCB1 525/4885
US-20210213014-A1 METHODS OF USING EHMT2 INHIBITORS IN IMMUNOTHERAPIES EHMT2, BHMT2, BHMT SMN1; SMN2 2954/4885ACE2 526/4885ABCB1 1518/4885

“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.