SCHEMBL16620406

SCHEMBL16620406

C[Si](C)(C)C#Cc1cnc2ccc(Cl)nn12

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TNF P01375 4/20 0.44
MKNK1 Q9BUB5 1/20 0.43
DYRK1A Q13627 10/20 0.41
DYRK2 Q92630 10/20 0.41
DYRK1B Q9Y463 9/20 0.41
CDK5 Q00535 7/20 0.41
CDK5R1 Q15078 7/20 0.41
DYRK3 O43781 7/20 0.41
CCNA2 P20248 6/20 0.41
CDK2 P24941 6/20 0.41
CCNT1 O60563 4/20 0.41
CDK9 P50750 4/20 0.41
ALDH1A1 P00352 2/20 0.39
KDM4E B2RXH2 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
RET P07949 1/20 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
SCHEMBL15674118 0.84 TNF (0.46) TNFMKNK1DYRK1ADYRK2DYRK1B
SCHEMBL15674004 0.81 TGFBR1 (0.33)
SCHEMBL16620325 0.77 TNF (0.49) TNFMKNK1DYRK1ADYRK2DYRK1B
SCHEMBL430890 0.77 TNF (0.49) TNFDYRK1ADYRK2DYRK1BCDK5
SCHEMBL31601764 0.75 FYN (0.36) TNFALDH1A1KDM4ESMN1; SMN2
SCHEMBL588504 0.73 MKNK1 (0.44) MKNK1DYRK1A
SCHEMBL16620555 0.71 DYRK1A (0.47) TNFMKNK1DYRK1ADYRK2DYRK1B
SCHEMBL9216298 0.71 TNF (0.53) TNFMKNK1DYRK1ADYRK2DYRK1B
SCHEMBL16620458 0.70 FYN (0.59) MKNK1
SCHEMBL16620525 0.70 RET (0.43) TNFMKNK1DYRK1ADYRK2DYRK1B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117624166-A Triazole derivative and preparation method and application thereof 苏州朗睿生物医药有限公司 2024-03-01 CN disclosed
CN-117586277-A Macrocyclic triazole derivative and preparation method and application thereof 苏州朗睿生物医药有限公司 2024-02-23 CN 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-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 TNF 3940/4885MKNK1 11/4885DYRK1A 472/4885
US-10544149-B2 Bicyclic alkyne derivatives and uses thereof MAPKAPK2, MAP4K2, MKNK2 TNF 4074/4885MKNK1 10/4885DYRK1A 436/4885
US-20180194771-A1 BICYCLIC ALKYNE DERIVATIVES AND USES THEREOF MAPKAPK2, CAMKK2, MKNK2 TNF 3940/4885MKNK1 11/4885DYRK1A 472/4885

“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.