SCHEMBL25215552

SCHEMBL25215552

COc1cc2c(cc1Br)nc(N1CCC[C@@H](N)C1)n2C

nearest known ligand 0.49

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ ADRA1D P25100 2/20 0.49
▸ ADRA1B P35368 2/20 0.49
▸ ADRA1A P35348 1/20 0.49
▸ DPP4 P27487 8/20 0.43
▸ CYP3A4 P08684 3/20 0.43
▸ KCNH2 Q12809 4/20 0.42
▸ SUV39H2 Q9H5I1 5/20 0.42
▸ PIM1 P11309 1/20 0.38
▸ PIM3 Q86V86 1/20 0.38
▸ PIM2 Q9P1W9 1/20 0.38

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
SCHEMBL25271320 1.00 ADRA1D (0.49) ADRA1DADRA1BADRA1ADPP4CYP3A4
SCHEMBL25600253 0.84 HTR2A (0.44) SUV39H2
SCHEMBL25219479 0.75 HCRTR1 (0.37) ADRA1DADRA1BADRA1A
SCHEMBL30533986 0.75 HCRTR1 (0.37) ADRA1DADRA1BADRA1A
SCHEMBL25261654 0.75 HCRTR1 (0.37) ADRA1DADRA1BADRA1A
SCHEMBL25600268 0.71 S100B (0.44) ADRA1DADRA1BADRA1A
SCHEMBL25681118 0.70 KDM4E (0.41) KCNH2
SCHEMBL25599841 0.70 KCNH2 (0.36) DPP4KCNH2
SCHEMBL30039825 0.70 LMNA (0.49) —
SCHEMBL30533920 0.69 ALDH1A1 (0.52) DPP4KCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230203010-A1 BICYCLIC AMINE CDK12 INHIBITORS INCYTE CORPORATION 2023-06-29 — — US disclosed
US-20230203010-A1 BICYCLIC AMINE CDK12 INHIBITORS INCYTE CORPORATION 2023-06-29 — — US disclosed
WO-2023102184-A1 BICYCLIC AMINE COMPOUNDS AS CDK12 INHIBITORS INCYTE CORPORATION (US) 2023-06-08 — — WO disclosed
WO-2023102184-A1 BICYCLIC AMINE COMPOUNDS AS CDK12 INHIBITORS INCYTE CORPORATION (US) 2023-06-08 — — 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 (1 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-20230203010-A1 BICYCLIC AMINE CDK12 INHIBITORS CDK12, CDK1, CDK2 ADRA1D 4695/4885ADRA1B 4304/4885ADRA1A 4396/4885

“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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