SCHEMBL21184123

SCHEMBL21184123

C=CC(=O)N1CCN(C(=O)NC2(C#Cc3ccc(Cl)c(Cl)c3)CC2)CC1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 4/20 0.38
▸ TET3 O43151 2/20 0.38
▸ FBXL19 Q6PCT2 2/20 0.38
▸ CXXC5 Q7LFL8 2/20 0.38
▸ KDM2B Q8NHM5 2/20 0.38
▸ CXXC4 Q9H2H0 2/20 0.38
▸ KDM2A Q9Y2K7 2/20 0.38
▸ NPC1 O15118 2/20 0.36
▸ RAB9A P51151 2/20 0.36
▸ MEN1 O00255 2/20 0.36
▸ PYGL P06737 1/20 0.35
▸ TET1 Q8NFU7 1/20 0.35
▸ GPR183 P32249 3/20 0.34
▸ OPRK1 P41145 1/20 0.34
▸ ERBB2 P04626 2/20 0.34
▸ EGFR P00533 1/20 0.34
▸ KRAS P01116 1/20 0.34
▸ SMN1; SMN2 Q16637 3/20 0.33
▸ MAPT P10636 3/20 0.33
▸ TP53 P04637 2/20 0.33

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
SCHEMBL21183978 0.96 KMT2A (0.37) KMT2ATET3FBXL19CXXC5KDM2B
SCHEMBL21177967 0.90 CCR2 (0.37) KMT2ATET3FBXL19CXXC5KDM2B
SCHEMBL21184078 0.89 KRAS (0.37) KMT2ATET3FBXL19CXXC5KDM2B
SCHEMBL25804233 0.88 GPR183 (0.37) KMT2ANPC1RAB9AMEN1PYGL
SCHEMBL28479106 0.88 GPR183 (0.35) KMT2ANPC1RAB9AMEN1PYGL
SCHEMBL21180356 0.88 GPR183 (0.35) KMT2ANPC1RAB9AMEN1PYGL
SCHEMBL21183980 0.88 KRAS (0.40) KMT2ATET3FBXL19CXXC5KDM2B
SCHEMBL29266462 0.87 GPR183 (0.36) KMT2ANPC1RAB9AMEN1PYGL
SCHEMBL21182293 0.86 LMNA (0.35) KMT2ANPC1RAB9AMEN1PYGL
SCHEMBL21184121 0.86 LMNA (0.41) KMT2ANPC1RAB9AMEN1PYGL

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 5 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-11633394-B2 Substituted alkynylene compounds as anticancer agents AURIGENE ONCOLOGY LIMITED (IN) 2023-04-25 — — 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 (3 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 KMT2A 2821/4885TET3 3097/4885FBXL19 4026/4885
US-20210379055-A1 Substituted Alkynylene Compounds As Anticancer Agents MCL1, ROS1, MKI67 KMT2A 2821/4885TET3 3097/4885FBXL19 4026/4885
US-11633394-B2 Substituted alkynylene compounds as anticancer agents MCL1, ROS1, MKI67 KMT2A 2821/4885TET3 3097/4885FBXL19 4026/4885

“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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