SCHEMBL16620525

SCHEMBL16620525

Cc1ccc(C#N)cc1C#Cc1cnc2ccc(Cl)nn12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RET P07949 1/20 0.43
ROR1 Q01973 3/20 0.39
CDK5 Q00535 6/20 0.38
DYRK1A Q13627 6/20 0.38
CDK5R1 Q15078 6/20 0.38
DYRK2 Q92630 6/20 0.38
DYRK1B Q9Y463 6/20 0.38
DYRK3 O43781 5/20 0.38
CCNA2 P20248 5/20 0.38
CDK2 P24941 5/20 0.38
CCNT1 O60563 4/20 0.38
CDK9 P50750 4/20 0.38
TNF P01375 1/20 0.38
EGLN2 Q96KS0 3/20 0.38
FFAR1 O14842 2/20 0.37
CSF1R P07333 1/20 0.36
MKNK1 Q9BUB5 1/20 0.35
FFAR4 Q5NUL3 1/20 0.34
TGFBR1 P36897 1/20 0.34
ABL1 P00519 1/20 0.34

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
SCHEMBL16620555 0.81 DYRK1A (0.47) CDK5DYRK1ACDK5R1DYRK2DYRK1B
SCHEMBL430890 0.75 TNF (0.49) CDK5DYRK1ACDK5R1DYRK2DYRK1B
SCHEMBL15674118 0.72 TNF (0.46) RETCDK5DYRK1ACDK5R1DYRK2
SCHEMBL16620678 0.72 MKNK1 (0.68) RETROR1MKNK1ABL1
SCHEMBL16620406 0.70 TNF (0.44) RETCDK5DYRK1ACDK5R1DYRK2
SCHEMBL29165803 0.68 NTRK1 (0.43) RETROR1CDK5DYRK1ACDK5R1
SCHEMBL30772339 0.68 NTRK1 (0.43) RETROR1CDK5DYRK1ACDK5R1
SCHEMBL15287996 0.68 DYRK1A (0.62) RETCDK5DYRK1ACDK5R1DYRK2
SCHEMBL103269 0.68 DYRK1A (0.71) CDK5DYRK1ACDK5R1DYRK2DYRK1B
SCHEMBL18763501 0.68 TNF (0.40) CDK5DYRK1ACDK5R1DYRK2DYRK1B

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 13 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
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-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-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-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
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
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 RET 515/4885ROR1 2083/4885CDK5 152/4885
US-10544149-B2 Bicyclic alkyne derivatives and uses thereof MAPKAPK2, MAP4K2, MKNK2 RET 524/4885ROR1 2110/4885CDK5 154/4885
US-20180194771-A1 BICYCLIC ALKYNE DERIVATIVES AND USES THEREOF MAPKAPK2, CAMKK2, MKNK2 RET 515/4885ROR1 2083/4885CDK5 152/4885

“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.