SCHEMBL30242514

SCHEMBL30242514

COc1ccccc1-c1nc(N)nc(Cl)c1C(F)(F)F

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 3/20 0.56
ADORA1 P30542 2/20 0.56
HSP90AA1 P07900 3/20 0.50
HSP90AB1 P08238 2/20 0.50
ALDH1A1 P00352 4/20 0.45
GAA P10253 2/20 0.43
HPGD P15428 2/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
HTT P42858 2/20 0.42
TSHR P16473 1/20 0.42
HSD17B10 Q99714 1/20 0.42
KDM4E B2RXH2 2/20 0.41
LMNA P02545 2/20 0.41
MITF O75030 1/20 0.41
STAT3 P40763 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
DHFR P00374 1/20 0.40
DHPS P49366 1/20 0.40
JAK2 O60674 1/20 0.39
DPP4 P27487 2/20 0.39

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
SCHEMBL28275793 0.86 ADORA2A (0.56) ADORA2AADORA1HSP90AA1HSP90AB1ALDH1A1
SCHEMBL28096992 0.74 ADORA2A (0.51) ADORA2AADORA1HSP90AA1HSP90AB1ALDH1A1
SCHEMBL7777502 0.73 ADORA2A (0.57) ADORA2AADORA1HSP90AA1HSP90AB1ALDH1A1
SCHEMBL4408835 0.73 ADORA2A (0.60) ADORA2AADORA1HSP90AA1HSP90AB1ALDH1A1
SCHEMBL28957218 0.72 DHFR (0.51) ADORA2AADORA1ALDH1A1HPGDLMNA
SCHEMBL3678540 0.71 HSP90AA1 (0.58) ADORA2AADORA1HSP90AA1HSP90AB1ALDH1A1
SCHEMBL17022583 0.69 ALDH1A1 (0.54) ADORA2AADORA1HSP90AA1HSP90AB1ALDH1A1
SCHEMBL27881848 0.68 ADORA2A (0.57) ADORA2AADORA1HSP90AA1HSP90AB1ALDH1A1
SCHEMBL23851630 0.68 KDM4E (0.36) ADORA2AADORA1HSP90AA1HSP90AB1ALDH1A1
SCHEMBL7776147 0.68 ADORA2A (0.57) ADORA2AADORA1HSP90AA1HSP90AB1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230049557-A1 NOVEL ADAMANTANE DERIVATIVES AS INHIBITORS OF FOCAL ADHESION KINASE INCHEON NATIONAL UNIVERSITY RESEARCH & BUSINESS FOUNDATION (KR) 2023-02-16 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-20230049557-A1 NOVEL ADAMANTANE DERIVATIVES AS INHIBITORS OF FOCAL ADHESION KINASE PTK2, DAPK2, DAPK1 ADORA2A 767/4885ADORA1 828/4885HSP90AA1 1479/4885

“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.