SCHEMBL25827803

SCHEMBL25827803

C=Nc1ccc(C#N)cc1/C(=C\C)Nc1cncc(-c2nc3ccc(Nc4ccncc4)cc3[nH]2)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PKN1 Q16512 1/20 0.44
▸ PKN2 Q16513 1/20 0.44
▸ ALDH1A1 P00352 4/20 0.39
▸ HPGD P15428 3/20 0.39
▸ KDM4E B2RXH2 2/20 0.39
▸ GAA P10253 1/20 0.39
▸ MAPT P10636 3/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ HSD17B10 Q99714 2/20 0.37
▸ CSNK1A1 P48729 6/20 0.37
▸ CSNK1D P48730 6/20 0.37
▸ CSNK1G2 P78368 6/20 0.37
▸ GSK3B P49841 5/20 0.37
▸ ATM Q13315 1/20 0.37
▸ POLB P06746 2/20 0.36
▸ LMNA P02545 1/20 0.36
▸ TP53 P04637 2/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ LRRK2 Q5S007 1/20 0.34

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
SCHEMBL25838393 0.81 KIT (0.31) PKN1PKN2
SCHEMBL25827001 0.76 POLB (0.48) ALDH1A1KDM4EGAAMAPTSMN1; SMN2
SCHEMBL25838198 0.75 TP53 (0.41) ALDH1A1HPGDKDM4EMAPTSMN1; SMN2
SCHEMBL24006229 0.74 KDR (0.52) PKN1PKN2CSNK1A1CSNK1DCSNK1G2
SCHEMBL25832525 0.72 CETP (0.36) MAPTPOLBTP53
SCHEMBL23999737 0.72 F10 (0.41) ALDH1A1KDM4EMAPTPOLBKMT2A
SCHEMBL25490539 0.71 POLB (0.43) ALDH1A1HPGDKDM4EMAPTPOLB
SCHEMBL23999436 0.67 KDR (0.59) PKN1PKN2CSNK1A1CSNK1DCSNK1G2
SCHEMBL23999350 0.67 KDR (0.59) PKN1PKN2CSNK1A1CSNK1DCSNK1G2
SCHEMBL30287670 0.66 KDR (0.58) PKN1PKN2CSNK1A1CSNK1DCSNK1G2

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 PKN1 707/4885PKN2 578/4885ALDH1A1 3871/4885

“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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