SCHEMBL25680772

SCHEMBL25680772

CN[C@@H]1C[C@@H](O)CN(c2nc3cc(Br)ccc3n2C)C1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 9/20 0.40
MAPT P10636 3/20 0.38
ALDH1A1 P00352 2/20 0.38
MAPK1 P28482 2/20 0.38
NPC1 O15118 1/20 0.38
TP53 P04637 1/20 0.38
ALOX15 P16050 1/20 0.38
TSHR P16473 1/20 0.38
RAB9A P51151 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
ACACB O00763 1/20 0.36
HDAC6 Q9UBN7 2/20 0.35
HTR3A P46098 1/20 0.34
MEN1 O00255 1/20 0.32
HPGD P15428 1/20 0.32
HTT P42858 1/20 0.32
KMT2A Q03164 1/20 0.32
CACNA2D1 P54289 1/20 0.32
IDH1 O75874 1/20 0.32
PIK3CD O00329 2/20 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
SCHEMBL25219604 0.86 TP53 (0.38) MAPTALDH1A1MAPK1NPC1TP53
SCHEMBL25674762 0.78 HDAC6 (0.41) ALDH1A1TSHRHDAC6
SCHEMBL25599061 0.77 NPC1 (0.40) MAPTALDH1A1MAPK1NPC1TP53
SCHEMBL25680779 0.77 NPC1 (0.40) MAPTALDH1A1MAPK1NPC1TP53
SCHEMBL25599594 0.71 ALDH1A1 (0.47) HRH4MAPTALDH1A1MAPK1NPC1
SCHEMBL25263629 0.70 PKM (0.44) MAPTALDH1A1MAPK1NPC1RAB9A
SCHEMBL25268689 0.67 PTGDR2 (0.35) MAPTTP53SMN1; SMN2KMT2A
SCHEMBL30534018 0.67 PTGDR2 (0.35) MAPTTP53SMN1; SMN2KMT2A
SCHEMBL30534016 0.67 PTGDR2 (0.35) MAPTTP53SMN1; SMN2KMT2A
SCHEMBL16042846 0.67 MAPK1 (0.51) MAPTALDH1A1MAPK1NPC1TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230203010-A1 BICYCLIC AMINE CDK12 INHIBITORS INCYTE CORPORATION 2023-06-29 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 (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 HRH4 3006/4885MAPT 1673/4885ALDH1A1 4330/4885

“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.