SCHEMBL21184078

SCHEMBL21184078

C#Cc1cc(C#CC2(NC(=O)N3CCN(C(=O)C=C)CC3)CC2)ccc1Cl

nearest known ligand 0.37

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ KRAS P01116 4/20 0.37
▸ TET3 O43151 3/20 0.35
▸ KMT2A Q03164 3/20 0.35
▸ FBXL19 Q6PCT2 3/20 0.35
▸ CXXC5 Q7LFL8 3/20 0.35
▸ KDM2B Q8NHM5 3/20 0.35
▸ CXXC4 Q9H2H0 3/20 0.35
▸ KDM2A Q9Y2K7 3/20 0.35
▸ TET1 Q8NFU7 2/20 0.32
▸ JAK3 P52333 1/20 0.32
▸ ERBB2 P04626 1/20 0.32
▸ ACHE P22303 1/20 0.30

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
SCHEMBL21184123 0.89 KMT2A (0.38) KRASTET3KMT2AFBXL19CXXC5
SCHEMBL24090427 0.88 HIF1A (0.34) KMT2A
SCHEMBL25804391 0.86 CTSS (0.34) —
SCHEMBL30354217 0.86 RXFP1 (0.35) —
SCHEMBL21183978 0.85 KMT2A (0.37) KRASTET3KMT2AFBXL19CXXC5
SCHEMBL21183980 0.83 KRAS (0.40) KRASTET3KMT2AFBXL19CXXC5
SCHEMBL21177633 0.83 MEN1 (0.43) KMT2A
SCHEMBL21177967 0.82 CCR2 (0.37) KRASTET3KMT2AFBXL19CXXC5
SCHEMBL25804233 0.78 GPR183 (0.37) KMT2A
SCHEMBL21180356 0.77 GPR183 (0.35) KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230210847-A1 Substituted Alkynylene Compounds As Anticancer Agents AURIGENE ONCOLOGY LTD (IN) 2023-07-06 — — US disclosed
US-20230210847-A1 Substituted Alkynylene Compounds As Anticancer Agents AURIGENE ONCOLOGY LTD (IN) 2023-07-06 — — US disclosed
US-20210379055-A1 Substituted Alkynylene Compounds As Anticancer Agents AURIGENE DISCOVERY TECHNOLOGIES LIMITED (IN) 2021-12-09 — — US disclosed
WO-2019142126-A1 SUBSTITUTED ALKYNYLENE COMPOUNDS AS ANTICANCER AGENTS AURIGENE DISCOVERY TECHNOLOGIES LIMITED (IN) 2019-07-25 — — 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 (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-20230210847-A1 Substituted Alkynylene Compounds As Anticancer Agents MCL1, ROS1, MKI67 KRAS 24/4885TET3 3097/4885KMT2A 2821/4885
US-20210379055-A1 Substituted Alkynylene Compounds As Anticancer Agents MCL1, ROS1, MKI67 KRAS 24/4885TET3 3097/4885KMT2A 2821/4885

“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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