SCHEMBL16620854

SCHEMBL16620854

C#Cc1cnn2ccc(-c3ccc(C(=O)N4CCN(C(=O)OC(C)(C)C)CC4)cc3)nc12

nearest known ligand 0.47

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HDAC4 P56524 1/20 0.47
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
RET P07949 13/20 0.43
ATR Q13535 2/20 0.43
DYRK2 Q92630 1/20 0.40
ABL1 P00519 1/20 0.40
RIN1 Q13671 1/20 0.40
SPR P35270 1/20 0.39

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
SCHEMBL16620427 0.86 HDAC4 (0.43) HDAC4MEN1KMT2ARETATR
SCHEMBL16621386 0.82 PIK3CD (0.52) HDAC4MEN1KMT2AATR
SCHEMBL15288889 0.82 JAK2 (0.46) HDAC4MEN1KMT2ARET
SCHEMBL16620804 0.76 KDM4E (0.43) RET
SCHEMBL8252454 0.73 KMT2A (0.72) HDAC4MEN1KMT2AABL1RIN1
SCHEMBL22031505 0.73 KMT2A (0.64) HDAC4MEN1KMT2AABL1RIN1
SCHEMBL16621479 0.71 PARP1 (0.38) RET
SCHEMBL16620994 0.71 MKNK1 (0.52) HDAC4MEN1KMT2AATRABL1
SCHEMBL18766581 0.71 MEN1 (0.59) HDAC4MEN1KMT2AATRDYRK2
SCHEMBL16425538 0.70 MEN1 (0.54) HDAC4MEN1KMT2AATRDYRK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3052501-B1 BICYCLIC ALKYNE DERIVATIVES AND USES THEREOF AGENCY SCIENCE TECH & RES (SG) 2022-06-22 EP disclosed
US-10544149-B2 Bicyclic alkyne derivatives and uses thereof AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2020-01-28 US disclosed
US-20180194771-A1 BICYCLIC ALKYNE DERIVATIVES AND USES THEREOF AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2018-07-12 US disclosed
US-9884867-B2 Bicyclic alkyne derivatives and uses thereof AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2018-02-06 US disclosed
US-20160229860-A1 BICYCLIC ALKYNE DERIVATIVES AND USES THEREOF AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2016-08-11 US disclosed
EP-3052501-A1 BICYCLIC ALKYNE DERIVATIVES AND USES THEREOF Agency For Science, Technology And Research (SG) 2016-08-10 EP disclosed
WO-2015050505-A1 BICYCLIC ALKYNE DERIVATIVES AND USES THEREOF AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2015-04-09 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-20160229860-A1 BICYCLIC ALKYNE DERIVATIVES AND USES THEREOF MAPKAPK2, CAMKK2, MKNK2 HDAC4 532/4885MEN1 1596/4885KMT2A 469/4885
US-10544149-B2 Bicyclic alkyne derivatives and uses thereof MAPKAPK2, MAP4K2, MKNK2 HDAC4 558/4885MEN1 1428/4885KMT2A 458/4885
US-20180194771-A1 BICYCLIC ALKYNE DERIVATIVES AND USES THEREOF MAPKAPK2, CAMKK2, MKNK2 HDAC4 532/4885MEN1 1596/4885KMT2A 469/4885

“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.