SCHEMBL23922840

SCHEMBL23922840

O=c1[nH]cnc2c1CC1(CC2)OCCO1

nearest known ligand 0.35

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SRC P12931 4/20 0.35
EGFR P00533 1/20 0.32
ALDH1A1 P00352 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
CHEK1 O14757 1/20 0.31
TSHR P16473 1/20 0.31
HTT P42858 1/20 0.31
KMT2A Q03164 1/20 0.31
KDM4E B2RXH2 1/20 0.30
GLA P06280 1/20 0.30
GAA P10253 1/20 0.30

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
SCHEMBL21243961 0.88 SRC (0.35) SRCEGFRALDH1A1NPSR1CHEK1
SCHEMBL15434235 0.81 SRC (0.39) SRCEGFRALDH1A1NPSR1CHEK1
SCHEMBL855822 0.76 PARP1 (0.41) SRCEGFRALDH1A1NPSR1CHEK1
SCHEMBL30850388 0.73 PARP1 (0.48) ALDH1A1TSHRKDM4E
SCHEMBL2085627 0.72 HTT (0.58) ALDH1A1NPSR1CHEK1TSHRHTT
SCHEMBL1073971 0.70
SCHEMBL30850266 0.70 TNKS2 (0.36) ALDH1A1TSHR
SCHEMBL14603966 0.69 TNKS2 (0.44) SRCALDH1A1NPSR1CHEK1TSHR
SCHEMBL23923109 0.68 P2RX3 (0.36)
SCHEMBL2624085 0.68 TSHR (0.49) SRCALDH1A1NPSR1CHEK1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12071434-B2 Heterocyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2024-08-27 US disclosed
CN-118480029-A 2-Aminopyrimidine compound or salt thereof, and preparation method and application thereof 励缔(杭州)医药科技有限公司 2024-08-13 CN disclosed
EP-3895707-B1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICALS CO (JP) 2023-10-04 EP disclosed
US-20230042358-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2023-02-09 US disclosed
EP-3895707-A1 HETEROCYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2021-10-20 EP 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-20230042358-A1 HETEROCYCLIC COMPOUND HCRTR2, HCRTR1, NTSR2 SRC 4130/4885EGFR 4759/4885ALDH1A1 1746/4885
US-12071434-B2 Heterocyclic compound HCRTR2, HCRTR1, NTSR2 SRC 4130/4885EGFR 4759/4885ALDH1A1 1746/4885

“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.