SCHEMBL22215343

SCHEMBL22215343

C#CCn1nc(C)c2c(N)ncnc21

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PIK3CD O00329 3/20 0.55
▸ PRKDC P78527 3/20 0.55
▸ MAPK1 P28482 3/20 0.42
▸ KDM4E B2RXH2 3/20 0.42
▸ CYP1A2 P05177 2/20 0.42
▸ TP53 P04637 1/20 0.42
▸ CYP3A4 P08684 1/20 0.42
▸ FYN P06241 6/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ TDP1 Q9NUW8 1/20 0.39
▸ SRC P12931 4/20 0.38
▸ YES1 P07947 3/20 0.38
▸ FGR P09769 2/20 0.38
▸ LRRK2 Q5S007 2/20 0.38
▸ HTT P42858 2/20 0.37
▸ TSHR P16473 1/20 0.37
▸ HSD17B10 Q99714 1/20 0.37
▸ KDR P35968 4/20 0.36
▸ EGFR P00533 3/20 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
SCHEMBL27088012 0.83 PIK3CD (0.54) PIK3CDPRKDCMAPK1KDM4ECYP1A2
SCHEMBL29998401 0.83 PIK3CD (0.54) PIK3CDPRKDCMAPK1KDM4ECYP1A2
SCHEMBL10261498 0.80 PIK3CD (0.53) PIK3CDPRKDCMAPK1KDM4ECYP1A2
SCHEMBL29678005 0.77 PIK3CD (0.74) PIK3CDPRKDCMAPK1KDM4ECYP1A2
SCHEMBL10261070 0.76 SRC (0.52) PIK3CDPRKDCMAPK1KDM4ECYP1A2
SCHEMBL13019686 0.76 PIK3CD (0.68) PIK3CDPRKDCMAPK1KDM4ECYP1A2
SCHEMBL21028946 0.75 PIK3CD (0.55) PIK3CDPRKDCMAPK1KDM4ECYP1A2
SCHEMBL26148251 0.75 MAPK1 (0.42) PIK3CDPRKDCMAPK1KDM4ECYP1A2
SCHEMBL10260251 0.74 PIK3CD (0.52) PIK3CDPRKDCSRCLRRK2KDR
SCHEMBL25113285 0.74 RET (0.43) PIK3CDPRKDCMAPK1KDM4ECYP1A2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11433065-B2 Certain chemical entities, compositions and methods INTELLIKINE LLC (US) 2022-09-06 — — US disclosed
US-20200222384-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS INTELLIKINE, INC. 2020-07-16 — — 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 (2 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-20200222384-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS PIK3CA, AKT3, PIK3C2A PIK3CD 7/4885PRKDC 64/4885MAPK1 436/4885
US-11433065-B2 Certain chemical entities, compositions and methods PIK3CA, AKT3, PIK3C2A PIK3CD 7/4885PRKDC 64/4885MAPK1 436/4885

“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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