SCHEMBL25244517

SCHEMBL25244517

Cn1c(Cl)nc2cc([N+](=O)[O-])c(C3CC3)cc21

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PGK1 P00558 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ LMNA P02545 3/20 0.36
▸ MAPT P10636 2/20 0.36
▸ KDM4E B2RXH2 1/20 0.36
▸ HTT P42858 1/20 0.36
▸ NPSR1 Q6W5P4 1/20 0.36
▸ GALR2 O43603 1/20 0.34
▸ POLB P06746 1/20 0.34
▸ CHRNB2 P17787 1/20 0.34
▸ CHRNA4 P43681 1/20 0.34
▸ HSD11B1 P28845 1/20 0.32
▸ HPGD P15428 1/20 0.32
▸ ALDH1A1 P00352 2/20 0.32
▸ NOS3 P29474 1/20 0.32
▸ NOS1 P29475 1/20 0.32
▸ NOS2 P35228 1/20 0.32
▸ PKM P14618 1/20 0.32
▸ SLC18A3 Q16572 1/20 0.32
▸ MEN1 O00255 1/20 0.32

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
SCHEMBL25261573 0.79 GAA (0.41) PGK1SMN1; SMN2LMNAMAPTKDM4E
SCHEMBL30533973 0.79 GAA (0.41) PGK1SMN1; SMN2LMNAMAPTKDM4E
SCHEMBL25219471 0.79 SMN1; SMN2 (0.41) PGK1SMN1; SMN2LMNAMAPTKDM4E
SCHEMBL25219556 0.78 SMN1; SMN2 (0.40) PGK1SMN1; SMN2LMNAMAPTKDM4E
SCHEMBL30464363 0.78 SMN1; SMN2 (0.40) PGK1SMN1; SMN2LMNAMAPTKDM4E
SCHEMBL16898831 0.73 GLS (0.36) LMNAMAPTKDM4EHTTNPSR1
SCHEMBL16898968 0.71 MAPT (0.51) SMN1; SMN2LMNAMAPTKDM4EGALR2
SCHEMBL3834332 0.69 ALDH1A1 (0.50) SMN1; SMN2LMNAMAPTHTTNPSR1
SCHEMBL4978556 0.69 ALDH1A1 (0.55) SMN1; SMN2LMNAMAPTKDM4EHTT
SCHEMBL11879550 0.68 SIRT6 (0.40) SMN1; SMN2LMNAPOLBHPGD

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 3 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

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 PGK1 285/4885SMN1; SMN2 2951/4885LMNA 1157/4885

“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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