SCHEMBL19477350

SCHEMBL19477350

CNc1ccnc(N[C@@H]2CC[C@H](N)C2)n1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PAK4 O96013 2/20 0.49
▸ PAK1 Q13153 2/20 0.49
▸ CDK9 P50750 5/20 0.47
▸ CDK7 P50613 2/20 0.47
▸ PIK3C3 Q8NEB9 1/20 0.46
▸ HRH4 Q9H3N8 1/20 0.45
▸ CCNB2 O95067 2/20 0.45
▸ CDK1 P06493 2/20 0.45
▸ CCNB1 P14635 2/20 0.45
▸ CCNB3 Q8WWL7 2/20 0.45
▸ MAPK6 Q16659 6/20 0.42
▸ MAPK8 P45983 2/20 0.41
▸ MAPK9 P45984 2/20 0.41
▸ CCNE1 P24864 1/20 0.41
▸ CDK2 P24941 1/20 0.41
▸ MAPK10 P53779 1/20 0.41
▸ CDC7 O00311 1/20 0.41
▸ CHEK1 O14757 1/20 0.41
▸ DCLK1 O15075 1/20 0.41
▸ MAPK13 O15264 1/20 0.41

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
SCHEMBL19477384 1.00 PAK4 (0.49) PAK4PAK1CDK9CDK7PIK3C3
SCHEMBL25607003 0.80 GPR39 (0.56) PAK4PAK1PIK3C3HRH4CCNB2
SCHEMBL27109893 0.79 GPR39 (0.58) PIK3C3HRH4CCNB2CDK1CCNB1
SCHEMBL19477097 0.77 HRH3 (0.56) HRH4CDK1CCNB1MAPK8CDK2
SCHEMBL31456684 0.76 KDM4E (0.55) PAK4PAK1CDK9CDK7HRH4
SCHEMBL25607007 0.73 GPR39 (0.41) PAK4PAK1PIK3C3HRH4CDK1
SCHEMBL24065221 0.73 CDK1 (0.54) PAK4PAK1CDK9CDK7PIK3C3
SCHEMBL18677322 0.73 CDK1 (0.54) PAK4PAK1CDK9CDK7PIK3C3
SCHEMBL6463619 0.72 PAK4 (0.50) PAK4PAK1CDK9CDK7PIK3C3
SCHEMBL6457779 0.72 PAK4 (0.50) PAK4PAK1CDK9CDK7PIK3C3

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 11 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
EP-3442947-B1 AMINE-SUBSTITUTED ARYL OR HETEROARYL COMPOUNDS AS EHMT1 AND EHMT2 INHIBITORS EPIZYME INC (US) 2023-06-07 — — EP disclosed
EP-3442947-B1 AMINE-SUBSTITUTED ARYL OR HETEROARYL COMPOUNDS AS EHMT1 AND EHMT2 INHIBITORS EPIZYME INC (US) 2023-06-07 — — EP 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
US-20170355712-A1 AMINE-SUBSTITUTED ARYL OR HETEROARYL COMPOUNDS Epizyme, Inc. 2017-12-14 — — US disclosed
US-20170355712-A1 AMINE-SUBSTITUTED ARYL OR HETEROARYL COMPOUNDS Epizyme, Inc. 2017-12-14 — — US disclosed
WO-2017181177-A1 AMINE-SUBSTITUTED ARYL OR HETEROARYL COMPOUNDS AS EHMT1 AND EHMT2 INHIBITORS Epizyme, Inc. (US) 2017-10-19 — — WO 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 (7 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 PAK4 870/4885PAK1 674/4885CDK9 1749/4885
US-20170355712-A1 AMINE-SUBSTITUTED ARYL OR HETEROARYL COMPOUNDS SHMT1, BHMT, BHMT2 PAK4 1840/4885PAK1 1808/4885CDK9 1920/4885
US-20210198277-A1 AMINE-SUBSTITUTED ARYL OR HETEROARYL COMPOUNDS SHMT1, BHMT, BHMT2 PAK4 1840/4885PAK1 1808/4885CDK9 1920/4885
US-20200054635-A1 COMBINATION THERAPIES WITH EHMT2 INHIBITORS EHMT2, BHMT, SHMT2 PAK4 870/4885PAK1 674/4885CDK9 1749/4885
US-20200113901-A1 METHODS OF USING EHMT2 INHIBITORS EHMT2, EHMT1, BHMT PAK4 1882/4885PAK1 1892/4885CDK9 3363/4885
US-11672800-B2 Combination therapies with EHMT2 inhibitors EHMT2, BHMT, SHMT2 PAK4 870/4885PAK1 674/4885CDK9 1749/4885
US-20210213014-A1 METHODS OF USING EHMT2 INHIBITORS IN IMMUNOTHERAPIES EHMT2, BHMT2, BHMT PAK4 2825/4885PAK1 3483/4885CDK9 3060/4885

“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.

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