SCHEMBL24236718

SCHEMBL24236718

Cc1cnc(NC(=O)c2ccc3c(c2)C(=O)N(c2ccc(Cc4ccc(N5C(=O)c6ccc(C(=O)Nc7ncc(N)cn7)cc6C5=O)cc4)cc2)C3=O)nc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTT P42858 1/20 0.46
▸ CA1 P00915 4/20 0.45
▸ CA2 P00918 3/20 0.45
▸ ALDH1A1 P00352 4/20 0.45
▸ MEN1 O00255 3/20 0.45
▸ KMT2A Q03164 3/20 0.45
▸ DNM2 P50570 1/20 0.44
▸ RAB9A P51151 3/20 0.44
▸ CA12 O43570 6/20 0.44
▸ CA7 P43166 3/20 0.44
▸ CA4 P22748 2/20 0.44
▸ NPC1 O15118 1/20 0.44
▸ TSHR P16473 1/20 0.44
▸ CASP1 P29466 1/20 0.44
▸ CASP7 P55210 1/20 0.44
▸ HSD17B10 Q99714 1/20 0.44
▸ CA9 Q16790 3/20 0.43
▸ PTPN7 P35236 1/20 0.42
▸ PTPN22 Q9Y2R2 1/20 0.42
▸ POLB P06746 1/20 0.42

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
SCHEMBL24236730 0.88 MEN1 (0.52) HTTCA1CA2ALDH1A1MEN1
SCHEMBL24236720 0.86 RXFP1 (0.49) HTTCA1CA2ALDH1A1MEN1
SCHEMBL24236736 0.83 RAB9A (0.47) CA1CA2ALDH1A1MEN1KMT2A
SCHEMBL24236716 0.82 MEN1 (0.57) HTTCA1CA2ALDH1A1MEN1
SCHEMBL1696020 0.79 CA9 (0.58) HTTCA1CA2ALDH1A1MEN1
SCHEMBL24236717 0.78 MEN1 (0.48) ALDH1A1MEN1KMT2ADNM2RAB9A
SCHEMBL23917919 0.77 CA1 (0.47) CA1CA2ALDH1A1RAB9ACA12
SCHEMBL24236741 0.76 RXFP1 (0.48) HTTCA1CA2ALDH1A1MEN1
SCHEMBL15614026 0.74 RAB9A (0.61) MEN1KMT2ARAB9ACA12CA7
SCHEMBL24236731 0.74 MEN1 (0.49) CA1CA2ALDH1A1MEN1KMT2A

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-20220033585-A1 DIAMINE COMPOUND, AND POLYIMIDE PRECURSOR AND POLYIMIDE FILM USING SAME LG CHEM, LTD. (KR) 2022-02-03 — — 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-20220033585-A1 DIAMINE COMPOUND, AND POLYIMIDE PRECURSOR AND POLYIMIDE FILM USING SAME DDC, PUF60, PARG HTT 3100/4885CA1 1193/4885CA2 2230/4885

“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.

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