SCHEMBL16620555

SCHEMBL16620555

N#Cc1cccc(C#Cc2cnc3ccc(Cl)nn23)c1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 8/20 0.47
DYRK2 Q92630 8/20 0.47
DYRK1B Q9Y463 8/20 0.47
CDK5 Q00535 6/20 0.47
CDK5R1 Q15078 6/20 0.47
DYRK3 O43781 6/20 0.47
CCNA2 P20248 5/20 0.47
CDK2 P24941 5/20 0.47
CCNT1 O60563 3/20 0.47
CDK9 P50750 3/20 0.47
TGFBR1 P36897 1/20 0.41
MKNK1 Q9BUB5 1/20 0.40
NTRK1 P04629 1/20 0.39
NTRK3 Q16288 1/20 0.39
NTRK2 Q16620 1/20 0.39
EGLN2 Q96KS0 2/20 0.39
GRM5 P41594 1/20 0.39
PIM1 P11309 1/20 0.38
TNF P01375 1/20 0.38

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
SCHEMBL16620525 0.81 RET (0.43) DYRK1ADYRK2DYRK1BCDK5CDK5R1
SCHEMBL103269 0.79 DYRK1A (0.71) DYRK1ADYRK2DYRK1BCDK5CDK5R1
SCHEMBL430890 0.79 TNF (0.49) DYRK1ADYRK2DYRK1BCDK5CDK5R1
SCHEMBL15674118 0.73 TNF (0.46) DYRK1ADYRK2DYRK1BCDK5CDK5R1
SCHEMBL18763501 0.71 TNF (0.40) DYRK1ADYRK2DYRK1BCDK5CDK5R1
SCHEMBL16620406 0.71 TNF (0.44) DYRK1ADYRK2DYRK1BCDK5CDK5R1
SCHEMBL16620325 0.70 TNF (0.49) DYRK1ADYRK2DYRK1BCDK5CDK5R1
SCHEMBL15287996 0.69 DYRK1A (0.62) DYRK1ADYRK2DYRK1BCDK5CDK5R1
SCHEMBL937211 0.68 KDM4E (0.44) DYRK1ADYRK2DYRK1BCDK5CDK5R1
SCHEMBL30873480 0.68 GRM5 (0.55) GRM5

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 DYRK1A 472/4885DYRK2 489/4885DYRK1B 508/4885
US-10544149-B2 Bicyclic alkyne derivatives and uses thereof MAPKAPK2, MAP4K2, MKNK2 DYRK1A 436/4885DYRK2 460/4885DYRK1B 482/4885
US-20180194771-A1 BICYCLIC ALKYNE DERIVATIVES AND USES THEREOF MAPKAPK2, CAMKK2, MKNK2 DYRK1A 472/4885DYRK2 489/4885DYRK1B 508/4885

“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.