SCHEMBL21977361

SCHEMBL21977361

O=c1[nH]cnc2c1ncn2Cc1ccc(F)cc1

nearest known ligand 0.75

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.69
MEN1 O00255 1/20 0.69
KMT2A Q03164 1/20 0.69
HPRT1 P00492 7/20 0.53
MPO P05164 1/20 0.51
TPO P07202 1/20 0.51
PNP P00491 3/20 0.49
ACP1 P24666 2/20 0.48
GAA P10253 1/20 0.45
PKM P14618 1/20 0.45
HPGD P15428 1/20 0.45
SLC29A1 Q99808 1/20 0.45

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
SCHEMBL2979895 0.86 MEN1 (0.68) LMNAMEN1KMT2AHPRT1PNP
SCHEMBL22533355 0.83 MEN1 (0.65) LMNAMEN1KMT2AHPRT1PNP
SCHEMBL1533549 0.80 PNP (0.77) LMNAMEN1KMT2APNP
SCHEMBL12795899 0.78 PNP (0.56) LMNAMEN1KMT2APNPGAA
SCHEMBL9475856 0.77 HPGD (0.59) LMNAMEN1KMT2AMPOTPO
SCHEMBL21977321 0.75 MPO (0.54) LMNAMEN1KMT2AHPRT1MPO
SCHEMBL6659204 0.74 ADORA2A (0.74) SLC29A1
SCHEMBL24239249 0.74 HPRT1 (0.63) LMNAMEN1KMT2AHPRT1PNP
SCHEMBL1993930 0.74 HPRT1 (0.63) LMNAMEN1KMT2AHPRT1PNP
SCHEMBL3126819 0.73 ADORA2A (0.60) LMNAMEN1KMT2AHPRT1PNP

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-11986480-B2 Heterocyclic compound TOHOKU UNIVERSITY (JP) 2024-05-21 US disclosed
US-20200163970-A1 HETEROCYCLIC COMPOUND TOHOKU UNIVERSITY (JP) 2020-05-28 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-20200163970-A1 HETEROCYCLIC COMPOUND SQSTM1, BECN1, ATG7 LMNA 2733/4885MEN1 3191/4885KMT2A 3485/4885
US-11986480-B2 Heterocyclic compound SQSTM1, BECN1, ATG7 LMNA 2733/4885MEN1 3191/4885KMT2A 3485/4885

“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.