SCHEMBL30456954

SCHEMBL30456954

N[C@@H]1CCCN(c2nc3cc(NC(=O)OCc4ccccc4)ccc3s2)C1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.49
NPC1 O15118 2/20 0.49
RAB9A P51151 2/20 0.49
CASP3 P42574 1/20 0.49
SENP8 Q96LD8 1/20 0.49
SENP7 Q9BQF6 1/20 0.49
SENP6 Q9GZR1 1/20 0.49
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
TP53 P04637 5/20 0.47
LMNA P02545 2/20 0.47
ALOX15 P16050 1/20 0.47
MAPK1 P28482 1/20 0.47
CASP1 P29466 1/20 0.47
HTT P42858 1/20 0.47
HSD17B10 Q99714 1/20 0.47
KDM1A O60341 4/20 0.44
MAOA P21397 4/20 0.44
MAOB P27338 4/20 0.44
RCOR1 Q9UKL0 3/20 0.43

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
SCHEMBL25673290 1.00 MAPT (0.49) MAPTNPC1RAB9ACASP3SENP8
SCHEMBL25225421 0.85 MAPT (0.49) MAPTNPC1RAB9ACASP3SENP8
SCHEMBL25269391 0.85 MAPT (0.49) MAPTNPC1RAB9ACASP3SENP8
SCHEMBL25673309 0.81 DPP4 (0.46) MAPTNPC1RAB9ATP53MAPK1
SCHEMBL25674622 0.76 KDM1A (0.45) MAPTNPC1RAB9ATP53KDM1A
SCHEMBL30456874 0.75 MAPT (0.53) MAPTNPC1RAB9AMEN1KMT2A
SCHEMBL25673289 0.75 MAPT (0.53) MAPTNPC1RAB9AMEN1KMT2A
SCHEMBL25598272 0.66 NPC1 (0.53) MAPTNPC1RAB9ACASP3SENP8
SCHEMBL8866913 0.66 HDAC1 (0.56) MAPTNPC1RAB9ATP53KDM1A
SCHEMBL8867613 0.66 MGLL (0.56) MAPTNPC1RAB9AMEN1KMT2A

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-12084453-B2 Bicyclic amines as CDK12 inhibitors INCYTE CORPORATION (US) 2024-09-10 US disclosed
WO-2023107705-A1 BICYCLIC AMINES AS CDK12 INHIBITORS INCYTE CORPORATION (US) 2023-06-15 WO disclosed
US-20230183251-A1 BICYCLIC AMINES AS CDK12 INHIBITORS INCYTE CORPORATION 2023-06-15 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 (2 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-20230183251-A1 BICYCLIC AMINES AS CDK12 INHIBITORS CDK12, CDK1, CDK2 MAPT 1617/4885NPC1 4063/4885RAB9A 4139/4885
US-12084453-B2 Bicyclic amines as CDK12 inhibitors CDK12, CDK1, CDK2 MAPT 1617/4885NPC1 4063/4885RAB9A 4139/4885

“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.