SCHEMBL25138043

SCHEMBL25138043

CN1CCN(C(=O)c2ccc3nc(-c4ccc(-c5ccc(-c6ccc(-c7nc8ccc(C(=O)N9CCN(C)CC9)cc8[nH]7)cc6)o5)cc4)[nH]c3c2)CC1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FGFR1 P11362 2/20 0.55
KDR P35968 2/20 0.55
PDGFRB P09619 1/20 0.55
HDAC6 Q9UBN7 2/20 0.54
HDAC3 O15379 1/20 0.54
HDAC1 Q13547 1/20 0.54
HDAC2 Q92769 1/20 0.54
HDAC8 Q9BY41 1/20 0.54
ATR Q13535 2/20 0.53
CHEK2 O96017 3/20 0.52
MGLL Q99685 1/20 0.52
FGFR2 P21802 1/20 0.51
FGFR3 P22607 1/20 0.51
PIK3CD O00329 1/20 0.51
PIK3CB P42338 1/20 0.51
MTOR P42345 1/20 0.51
HRH4 Q9H3N8 4/20 0.49
ALDH1A1 P00352 2/20 0.48
TOP1 P11387 2/20 0.48
TOP2A P11388 2/20 0.48

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
SCHEMBL25138166 0.88 MGLL (0.49) FGFR1KDRPDGFRBHDAC6HDAC3
SCHEMBL25138202 0.87 HDAC3 (0.56) FGFR1KDRHDAC6HDAC3HDAC1
SCHEMBL25138167 0.81 CHEK2 (0.55) CHEK2MGLL
SCHEMBL25138170 0.79 SIRT2 (0.45) HDAC6HDAC3HDAC1HDAC2HDAC8
SCHEMBL23709597 0.79 RHEB (0.61) FGFR1KDRPDGFRBHDAC6HDAC3
SCHEMBL25138059 0.79 ALDH1A1 (0.71) FGFR1KDRPDGFRBALDH1A1TOP1
SCHEMBL17468532 0.78 HRH4 (0.62) FGFR1KDRPDGFRBFGFR2FGFR3
SCHEMBL20765466 0.78 ALDH1A1 (0.64) FGFR1KDRPDGFRBCHEK2MGLL
SCHEMBL25138168 0.78 MEN1 (0.61) MGLLALDH1A1SMN1; SMN2MAPT
SCHEMBL20683090 0.77 HRH4 (0.57) FGFR1KDRPDGFRBATRFGFR2

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-20230117938-A1 COMPOSITIONS AND METHODS FOR TREATING DISEASES, DISORDERS AND CONDITIONS INVOLVING TRINUCLEOTIDE REPEATS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2023-04-20 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-20230117938-A1 COMPOSITIONS AND METHODS FOR TREATING DISEASES, DISORDERS AND CONDITIONS INVOLVING TRINUCLEOTIDE REPEATS SMN1; SMN2, TRDMT1, HNRNPA2B1 FGFR1 1531/4885KDR 3906/4885PDGFRB 3726/4885

“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.