SCHEMBL16923738

SCHEMBL16923738

Nn1c2c(-c3ccccc3)c3nc(c(-c4ccccc4)c4ccc([nH]4)c(-c4ccccc4)c4nc(c(-c5ccc(NC(=O)CN6CCNCC6)cc5)c1C(N)(N)C2(N)N)C=C4)C=C3

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ JAK3 P52333 1/20 0.45
▸ MEN1 O00255 2/20 0.42
▸ KMT2A Q03164 2/20 0.42
▸ NPC1 O15118 3/20 0.42
▸ TP53 P04637 2/20 0.42
▸ RAB9A P51151 2/20 0.42
▸ KDM4E B2RXH2 2/20 0.42
▸ ALDH1A1 P00352 2/20 0.42
▸ HPGD P15428 1/20 0.42
▸ HSD17B10 Q99714 1/20 0.42
▸ GAA P10253 1/20 0.40
▸ TOP1 P11387 1/20 0.40
▸ CYCS P99999 2/20 0.39
▸ KDR P35968 2/20 0.39
▸ KHK P50053 1/20 0.39
▸ GSK3B P49841 1/20 0.38
▸ DYRK1A Q13627 1/20 0.38
▸ MGLL Q99685 1/20 0.37
▸ LMNA P02545 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37

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
SCHEMBL26401166 0.87 JAK3 (0.47) JAK3MEN1KMT2ANPC1TP53
SCHEMBL16923657 0.82 MEN1 (0.53) MEN1KMT2ANPC1TP53RAB9A
SCHEMBL16912670 0.80 ALDH1A1 (0.50) JAK3MEN1KMT2AKDM4EALDH1A1
SCHEMBL16920366 0.79 MEN1 (0.53) MEN1KMT2ANPC1TP53RAB9A
SCHEMBL16920382 0.75 MEN1 (0.50) MEN1KMT2ANPC1TP53RAB9A
SCHEMBL16923748 0.74 ALDH1A1 (0.55) MEN1KMT2ANPC1RAB9AKDM4E
SCHEMBL16912677 0.74 TOP1 (0.54) JAK3MEN1KMT2ANPC1RAB9A
SCHEMBL8572426 0.73 TOP1 (0.53) MEN1KMT2ATOP1CYCS
SCHEMBL16920374 0.71 SMN1; SMN2 (0.54) NPC1TP53RAB9AKDM4EALDH1A1
SCHEMBL793647 0.71 ALDH1A1 (0.68) JAK3MEN1KMT2ANPC1TP53

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-20150202293-A1 CONJUGATE OF A PHOTOSENSITISER AND CHITOSAN AND USES THEREOF PCI BIOTECH AS (NO) 2015-07-23 — — 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-20150202293-A1 CONJUGATE OF A PHOTOSENSITISER AND CHITOSAN AND USES THEREOF TLR3, CD47, TLR9 JAK3 2590/4885MEN1 974/4885KMT2A 3280/4885

“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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