SCHEMBL25838198

SCHEMBL25838198

C=Nc1ccc(C#N)cc1/C(=C\C)Nc1cccc(-c2nc3ccc(Nc4ccncc4)cc3o2)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TP53 P04637 5/20 0.41
▸ RXFP1 Q9HBX9 1/20 0.41
▸ NAMPT P43490 1/20 0.38
▸ NPC1 O15118 2/20 0.38
▸ RAB9A P51151 2/20 0.38
▸ CASP3 P42574 1/20 0.38
▸ SENP8 Q96LD8 1/20 0.38
▸ SENP7 Q9BQF6 1/20 0.38
▸ SENP6 Q9GZR1 1/20 0.38
▸ CEPT1 Q9Y6K0 1/20 0.38
▸ MAPT P10636 7/20 0.37
▸ KDM4E B2RXH2 5/20 0.37
▸ POLB P06746 4/20 0.37
▸ SMN1; SMN2 Q16637 3/20 0.37
▸ THRB P10828 1/20 0.36
▸ PPARG P37231 1/20 0.36
▸ HSD17B10 Q99714 3/20 0.36
▸ USP2 O75604 2/20 0.36
▸ ALDH1A1 P00352 2/20 0.36
▸ PKM P14618 1/20 0.36

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
SCHEMBL25832525 0.81 CETP (0.36) TP53RXFP1NPC1RAB9ACEPT1
SCHEMBL25827001 0.76 POLB (0.48) NAMPTNPC1RAB9AMAPTKDM4E
SCHEMBL25827803 0.75 PKN1 (0.44) TP53MAPTKDM4EPOLBSMN1; SMN2
SCHEMBL24006292 0.75 MAPKAPK2 (0.47) TP53RXFP1NAMPTNPC1RAB9A
SCHEMBL24003896 0.75 MAPKAPK2 (0.47) TP53RXFP1NAMPTNPC1RAB9A
SCHEMBL25853246 0.72 NPC1 (0.40) TP53RXFP1NAMPTNPC1RAB9A
SCHEMBL25490539 0.71 POLB (0.43) NAMPTMAPTKDM4EPOLBPPARG
SCHEMBL23999737 0.70 F10 (0.41) NAMPTRAB9AMAPTKDM4EPOLB
SCHEMBL25821785 0.69 MAPKAPK2 (0.48) TP53NPC1RAB9ACASP3SENP8
SCHEMBL24006295 0.69 MAPKAPK2 (0.46) TP53RXFP1CEPT1MAPTKDM4E

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-20230219927-A1 AKT3 MODULATORS Georgiamune Inc. 2023-07-13 — — 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-20230219927-A1 AKT3 MODULATORS AKT3, AKT2, PIK3CA TP53 435/4885RXFP1 4004/4885NAMPT 1361/4885

“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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