SCHEMBL29877508

SCHEMBL29877508

COC(=O)c1ccc(C)c(C#N)n1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPK1 P28482 2/20 0.41
▸ ALDH1A1 P00352 4/20 0.40
▸ GAA P10253 3/20 0.40
▸ KDM4E B2RXH2 3/20 0.40
▸ CYP1A2 P05177 3/20 0.40
▸ HPGD P15428 3/20 0.40
▸ CYP3A4 P08684 2/20 0.40
▸ CYP2C9 P11712 2/20 0.40
▸ CYP2C19 P33261 2/20 0.40
▸ SMN1; SMN2 Q16637 2/20 0.40
▸ NPC1 O15118 1/20 0.40
▸ TP53 P04637 1/20 0.40
▸ RAB9A P51151 1/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.39
▸ MEN1 O00255 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ CYP2D6 P10635 1/20 0.37
▸ MAPT P10636 2/20 0.37
▸ RECQL P46063 1/20 0.37
▸ PTGER4 P35408 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
SCHEMBL29549606 0.83 ALDH1A1 (0.43) MAPK1ALDH1A1GAAKDM4ECYP1A2
SCHEMBL23554744 0.83 ALDH1A1 (0.43) MAPK1ALDH1A1GAAKDM4ECYP1A2
SCHEMBL2954148 0.83 LCK (0.43) MAPK1ALDH1A1GAAKDM4ECYP1A2
SCHEMBL2968391 0.82 MAPT (0.42) MAPK1ALDH1A1GAAKDM4ECYP1A2
SCHEMBL28516114 0.82 MAPT (0.41) MAPK1ALDH1A1GAAKDM4ECYP1A2
SCHEMBL13093855 0.81 KDM4E (0.43) MAPK1ALDH1A1KDM4ERAB9AL3MBTL1
SCHEMBL13202515 0.81 ALDH1A1 (0.35) ALDH1A1GAAKDM4ESMN1; SMN2MAPT
SCHEMBL29877994 0.81 KDM4E (0.43) MAPK1ALDH1A1KDM4ERAB9AL3MBTL1
SCHEMBL23554745 0.81 MAPK1 (0.39) MAPK1ALDH1A1GAAKDM4ECYP1A2
SCHEMBL28574774 0.81 KDM4E (0.41) MAPK1ALDH1A1GAAKDM4ECYP1A2

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-20240317752-A1 6-SUBSTITUTED-9H-PURINE DERIVATIVES AND RELATED USES BLACK DIAMOND THERAPEUTICS, INC. (US) 2024-09-26 — — US disclosed
WO-2022178256-A1 6-SUBSTITUTED-9H-PURINE DERIVATIVES AND RELATED USES BLACK DIAMOND THERAPEUTICS, INC. (US) 2022-08-25 — — WO 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-20240317752-A1 6-SUBSTITUTED-9H-PURINE DERIVATIVES AND RELATED USES TYMP, DPYD, PNP MAPK1 3427/4885ALDH1A1 528/4885GAA 920/4885

“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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