SCHEMBL30111044

SCHEMBL30111044

O=c1[nH]c(CCN2CCCC2)nc2ccccc12

nearest known ligand 0.83

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 10/20 0.83
HTR1A P08908 5/20 0.65
HTR7 P34969 4/20 0.65
PARP2 Q9UGN5 2/20 0.63
DRD2 P14416 1/20 0.61
HTR2A P28223 1/20 0.61
PDE10A Q9Y233 1/20 0.59

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
SCHEMBL31060680 0.91 PARP1 (1.00) PARP1HTR1AHTR7PARP2
SCHEMBL29831539 0.88 PARP1 (0.66) PARP1HTR1AHTR7PARP2DRD2
SCHEMBL16404338 0.82 PDE10A (0.84) PARP1PARP2PDE10A
SCHEMBL29370038 0.80 HTT (0.70) PARP1HTR1AHTR7DRD2
SCHEMBL14585685 0.80 GAA (0.78)
SCHEMBL6646136 0.78 PDE10A (0.67) PARP1PARP2PDE10A
SCHEMBL14981676 0.78 PARP1 (1.00) PARP1HTR1AHTR7PARP2
SCHEMBL9010033 0.78 TNKS (0.71) PARP1PARP2DRD2
SCHEMBL23068618 0.77 PARP1 (0.59) PARP1HTR1AHTR7PARP2
SCHEMBL6796582 0.77 GAA (0.76) PARP1HTR1AHTR7PARP2

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-20240189306-A1 SHP2 INHIBITOR AND USE THEREOF KANAPH THERAPEUTICS INC. (KR) 2024-06-13 US disclosed
WO-2023282702-A1 SHP2 INHIBITOR AND USE THEREOF 주식회사 카나프테라퓨틱스 2023-01-12 WO 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-20240189306-A1 SHP2 INHIBITOR AND USE THEREOF PTPN1, PTPN5, PTPN2 PARP1 4212/4885HTR1A 4644/4885HTR7 4510/4885

“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.