SCHEMBL30729674

SCHEMBL30729674

C[C@H](CO)NCc1cccnc1

nearest known ligand 0.60

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.55
CYP2D6 P10635 1/20 0.55
ALDH1A1 P00352 4/20 0.51
PKM P14618 1/20 0.50
KMT2A Q03164 1/20 0.50
HTT P42858 2/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
RECQL P46063 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.48
CTSL P07711 1/20 0.47
LTA4H P09960 1/20 0.47
LMNA P02545 1/20 0.47
MAPT P10636 1/20 0.47
USP2 O75604 1/20 0.47

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
SCHEMBL171029 0.85 CYP1A2 (0.56) CYP1A2CYP2D6ALDH1A1PKMKMT2A
SCHEMBL6645277 0.85 CYP1A2 (0.56) CYP1A2CYP2D6ALDH1A1PKMKMT2A
SCHEMBL10864606 0.83 CYP1A2 (0.55) CYP1A2CYP2D6ALDH1A1PKMKMT2A
SCHEMBL13995941 0.83 CYP1A2 (0.55) CYP1A2CYP2D6ALDH1A1PKMKMT2A
SCHEMBL13995928 0.83 CYP1A2 (0.55) CYP1A2CYP2D6ALDH1A1PKMKMT2A
SCHEMBL4051277 0.83 CYP1A2 (0.58) CYP1A2CYP2D6ALDH1A1PKMKMT2A
SCHEMBL21810992 0.83 CYP1A2 (0.58) CYP1A2CYP2D6ALDH1A1PKMKMT2A
SCHEMBL104748 0.82 CYP1A2 (0.62) CYP1A2CYP2D6ALDH1A1PKMKMT2A
SCHEMBL9345944 0.82 CYP1A2 (0.62) CYP1A2CYP2D6ALDH1A1PKMKMT2A
SCHEMBL19954195 0.82 CYP1A2 (0.53) CYP1A2CYP2D6ALDH1A1PKMKMT2A

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-20260146042-A1 PYRROLOPYRIMIDINE COMPOUNDS AND THEIR USES NOVARTIS AG (CH) 2026-05-28 US disclosed
US-20240043428-A1 PYRROLOPYRIMIDINE COMPOUNDS AND THEIR USES ASTEX THERAPEUTICS LTD. (GB) 2024-02-08 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-20260146042-A1 PYRROLOPYRIMIDINE COMPOUNDS AND THEIR USES CDK9, CDK6, CDK7 CYP1A2 4431/4885CYP2D6 1534/4885ALDH1A1 3935/4885
US-20240043428-A1 PYRROLOPYRIMIDINE COMPOUNDS AND THEIR USES CDK6, CDK8, CDK7 CYP1A2 4191/4885CYP2D6 1822/4885ALDH1A1 3688/4885

“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.