SCHEMBL4387100

SCHEMBL4387100

O=C(NCc1ccccn1)C1CCNCC1

nearest known ligand 0.62

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.60
TSHR P16473 1/20 0.60
MEN1 O00255 1/20 0.60
GAA P10253 1/20 0.60
SMN1; SMN2 Q16637 2/20 0.56
KDM4E B2RXH2 1/20 0.56
PKM P14618 2/20 0.56
MAPT P10636 2/20 0.56
LMNA P02545 1/20 0.56
RECQL P46063 2/20 0.55
ALDH1A1 P00352 1/20 0.54
HPGD P15428 1/20 0.53
CYP3A4 P08684 1/20 0.53
APOBEC3A P31941 1/20 0.53
APOBEC3G Q9HC16 1/20 0.53

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
SCHEMBL17055772 0.92 KMT2A (0.55) KMT2ATSHRMEN1GAASMN1; SMN2
SCHEMBL17130350 0.92 KMT2A (0.55) KMT2ATSHRMEN1GAASMN1; SMN2
SCHEMBL4964666 0.90 KMT2A (0.67) KMT2ATSHRMEN1GAASMN1; SMN2
SCHEMBL10353314 0.87 TSHR (0.67) KMT2ATSHRMEN1GAASMN1; SMN2
SCHEMBL8321173 0.86 TSHR (0.70) KMT2ATSHRMEN1GAASMN1; SMN2
SCHEMBL10353331 0.86 TSHR (0.70) KMT2ATSHRMEN1GAASMN1; SMN2
SCHEMBL29542525 0.84 TSHR (0.56) KMT2ATSHRMEN1GAASMN1; SMN2
SCHEMBL25190021 0.83 KMT2A (0.60) KMT2ATSHRMEN1GAASMN1; SMN2
SCHEMBL13621106 0.81 GAA (0.67) KMT2ATSHRMEN1GAASMN1; SMN2
SCHEMBL6024225 0.81 CHRM1 (0.53) KMT2ATSHRMEN1GAASMN1; SMN2

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
EP-4642766-A1 COMPOUNDS AND METHODS FOR TREATING CANCER THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2025-11-05 EP disclosed
WO-2024145585-A1 COMPOUNDS AND METHODS FOR TREATING CANCER THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2024-07-04 WO disclosed
US-20090298820-A1 3-SUBSTITUTED-1H-PYRROLO[2,3-B]PYRIDINE AND 3-SUBSTITUTED-1H-PYRROLO[3,2-B]PYRIDINE COMPOUNDS, THEIR USE AS MTOR KINASE AND PI3 KINASE INHIBITORS, AND THEIR SYNTHESES WYETH (US) 2009-12-03 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-20090298820-A1 3-SUBSTITUTED-1H-PYRROLO[2,3-B]PYRIDINE AND 3-SUBSTITUTED-1H-PYRROLO[3,2-B]PYRIDINE COMPOUNDS, THEIR USE AS MTOR KINASE AND PI3 KINASE INHIBITORS, AND THEIR SYNTHESES MTOR, PIK3CA, PIK3C2B KMT2A 2707/4885TSHR 3987/4885MEN1 1872/4885

“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.