SCHEMBL12540028

SCHEMBL12540028

C[C@H]1CC[C@H](c2c(N)ccnc2N)CC1

nearest known ligand 0.35

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ ESR2 Q92731 1/20 0.35
▸ NOS3 P29474 5/20 0.34
▸ NOS2 P35228 5/20 0.34
▸ USP7 Q93009 1/20 0.33
▸ MEN1 O00255 1/20 0.32
▸ USP2 O75604 1/20 0.32
▸ GAA P10253 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ NOS1 P29475 2/20 0.31
▸ RET P07949 2/20 0.30
▸ TBK1 Q9UHD2 1/20 0.30
▸ ADK P55263 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
SCHEMBL12540026 1.00 ESR2 (0.35) ESR2NOS3NOS2USP7MEN1
SCHEMBL3388421 0.83 NOS3 (0.37) NOS3NOS2USP7NOS1ADK
SCHEMBL17967836 0.79 ROCK1 (0.41) MEN1KMT2A
SCHEMBL4367345 0.72 ROCK1 (0.39) —
SCHEMBL4367350 0.72 ROCK1 (0.39) —
SCHEMBL23901911 0.72 USP7 (0.35) NOS3NOS2USP7NOS1
SCHEMBL28907422 0.72 NOS3 (0.37) NOS3NOS2USP7MEN1GAA
SCHEMBL22493647 0.72 USP7 (0.35) NOS3NOS2USP7NOS1RET
SCHEMBL26686534 0.72 USP7 (0.35) NOS3NOS2USP7GAANOS1
SCHEMBL26471836 0.72 USP7 (0.35) NOS3NOS2USP7NOS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2937349-B1 FUSED TRICYCLIC DUAL INHIBITORS OF CDK 4/6 AND FLT3 AMGEN INC (US) 2016-12-28 — — EP disclosed
US-20160368933-A1 FUSED TRICYCLIC DUAL INHIBITORS OF CDK 4/6 AND FLT3 AMGEN INC (US) 2016-12-22 — — US disclosed
US-9359355-B2 Fused tricyclic dual inhibitors of CDK 4/6 and FLT3 AMGEN INC. (US) 2016-06-07 — — US disclosed
EP-2937349-A1 FUSED TRICYCLIC DUAL INHIBITORS OF CDK 4/6 AND FLT3 AMGEN INC. (US) 2015-10-28 — — EP disclosed
EP-2688887-B1 FUSED TRICYCLIC DUAL INHIBITORS OF CDK 4/6 AND FLT3 AMGEN INC (US) 2015-05-13 — — EP disclosed
US-20140163052-A1 FUSED TRICYCLIC DUAL INHIBITORS OF CDK 4/6 AND FLT3 AMGEN INC. (US) 2014-06-12 — — US disclosed
US-8623885-B2 Fused tricyclic dual inhibitors of CDK 4/6 and FLT3 AMGEN INC. (US) 2014-01-07 — — US disclosed
US-20120244110-A1 FUSED TRICYCLIC DUAL INHIBITORS OF CDK 4/6 AND FLT3 AMGEN INC. (US) 2012-09-27 — — 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 (3 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-20140163052-A1 FUSED TRICYCLIC DUAL INHIBITORS OF CDK 4/6 AND FLT3 CDK6, CDKL4, CDK16 ESR2 2184/4885NOS3 3520/4885NOS2 3666/4885
US-20120244110-A1 FUSED TRICYCLIC DUAL INHIBITORS OF CDK 4/6 AND FLT3 CDK6, CDKL4, CDK16 ESR2 2184/4885NOS3 3520/4885NOS2 3666/4885
US-20160368933-A1 FUSED TRICYCLIC DUAL INHIBITORS OF CDK 4/6 AND FLT3 CDK6, CDKL4, CDK16 ESR2 2184/4885NOS3 3520/4885NOS2 3666/4885

“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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