SCHEMBL24236736

SCHEMBL24236736

Nc1cnc(NC(=O)c2ccc3c(c2)C(=O)N(c2ccc(Sc4ccc(N5C(=O)c6ccc(C(=O)Nc7ncc(N)cn7)cc6C5=O)cc4)cc2)C3=O)nc1

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 1/20 0.47
▸ CA12 O43570 6/20 0.47
▸ CA7 P43166 3/20 0.47
▸ CA4 P22748 3/20 0.47
▸ MEN1 O00255 4/20 0.46
▸ KMT2A Q03164 4/20 0.46
▸ ALDH1A1 P00352 1/20 0.46
▸ CA2 P00918 8/20 0.45
▸ CA1 P00915 7/20 0.45
▸ CA9 Q16790 5/20 0.45
▸ HPSE Q9Y251 1/20 0.44
▸ ENPP2 Q13822 1/20 0.42
▸ GFER P55789 1/20 0.41

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
SCHEMBL24236732 0.83 MEN1 (0.51) RAB9ACA12CA7CA4MEN1
SCHEMBL24236730 0.83 MEN1 (0.52) RAB9ACA12CA7CA4MEN1
SCHEMBL24236718 0.83 HTT (0.46) RAB9ACA12CA7CA4MEN1
SCHEMBL24236742 0.82 RXFP1 (0.49) RAB9ACA12MEN1KMT2AALDH1A1
SCHEMBL23917917 0.81 CA1 (0.47) RAB9ACA12CA4MEN1KMT2A
SCHEMBL24236735 0.80 MEN1 (0.57) RAB9ACA12CA7CA4MEN1
SCHEMBL24236737 0.79 RXFP1 (0.44) RAB9ACA12CA7CA4MEN1
SCHEMBL24236769 0.78 MEN1 (0.48) RAB9ACA12CA7CA4MEN1
SCHEMBL23917901 0.77 CA1 (0.44) RAB9ACA12CA4MEN1KMT2A
SCHEMBL9741869 0.74 CA9 (0.66) RAB9ACA12CA7CA4MEN1

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 RAB9A 1969/4885CA12 1733/4885CA7 3055/4885

“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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