SCHEMBL25600253

SCHEMBL25600253

COc1cc2c(cc1Br)nc(N1CCCCC1)n2C

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ HTR2A P28223 1/20 0.44
▸ TSHR P16473 2/20 0.41
▸ SUV39H2 Q9H5I1 5/20 0.40
▸ MEN1 O00255 2/20 0.40
▸ LMNA P02545 2/20 0.40
▸ KMT2A Q03164 2/20 0.40
▸ NPSR1 Q6W5P4 2/20 0.39
▸ USP2 O75604 1/20 0.39
▸ HPGD P15428 1/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ HSD11B1 P28845 1/20 0.39
▸ EHMT2 Q96KQ7 2/20 0.37
▸ EHMT1 Q9H9B1 2/20 0.37
▸ MCOLN3 Q8TDD5 1/20 0.37
▸ MAPT P10636 1/20 0.37

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
SCHEMBL25215552 0.84 ADRA1D (0.49) SUV39H2
SCHEMBL25271320 0.84 ADRA1D (0.49) SUV39H2
SCHEMBL25600268 0.83 S100B (0.44) TSHRLMNANPSR1HPGDALDH1A1
SCHEMBL30039825 0.76 LMNA (0.49) MEN1LMNAKMT2ANPSR1USP2
SCHEMBL25231660 0.75 SMN1; SMN2 (0.43) HTR2ATSHRMEN1LMNAKMT2A
SCHEMBL25600235 0.74 CTSC (0.47) —
SCHEMBL25599594 0.74 ALDH1A1 (0.47) TSHRLMNAL3MBTL1ALDH1A1SMN1; SMN2
SCHEMBL25219479 0.73 HCRTR1 (0.37) KMT2AEHMT2
SCHEMBL25261654 0.73 HCRTR1 (0.37) KMT2AEHMT2
SCHEMBL17678213 0.72 NPC1 (0.48) TSHRMEN1LMNAKMT2AUSP2

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-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

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 HTR2A 1786/4885TSHR 3548/4885SUV39H2 691/4885

“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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