SCHEMBL16620804

SCHEMBL16620804

C#Cc1cnn2ccc(-c3ccc(C(=O)O)cc3)nc12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.43
SMN1; SMN2 Q16637 4/20 0.43
ALDH1A1 P00352 2/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
CAMKK1 Q8N5S9 1/20 0.42
CAMKK2 Q96RR4 1/20 0.42
RET P07949 1/20 0.41
CHEK1 O14757 4/20 0.40
ADH5 P11766 2/20 0.38
XDH P47989 1/20 0.38
SCN5A Q14524 2/20 0.38
DYRK1A Q13627 1/20 0.36
PIM3 Q86V86 1/20 0.36
RAB9A P51151 3/20 0.35
POLB P06746 2/20 0.35
GAA P10253 1/20 0.35
HTT P42858 1/20 0.35
LMNA P02545 1/20 0.35
MAPT P10636 1/20 0.35
NPC1 O15118 2/20 0.35

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
SCHEMBL1348718 0.81 SMN1; SMN2 (0.51) KDM4ESMN1; SMN2ALDH1A1L3MBTL1CAMKK1
SCHEMBL16621386 0.81 PIK3CD (0.52) KDM4ESMN1; SMN2ALDH1A1L3MBTL1MAPT
SCHEMBL16620854 0.76 HDAC4 (0.47) RET
SCHEMBL15288117 0.76 RET (0.50) KDM4ESMN1; SMN2ALDH1A1L3MBTL1CAMKK1
SCHEMBL313268 0.70 SMN1; SMN2 (0.51) KDM4ESMN1; SMN2ALDH1A1CAMKK1CAMKK2
SCHEMBL17998727 0.68 SMN1; SMN2 (0.43) KDM4ESMN1; SMN2ALDH1A1L3MBTL1CAMKK1
SCHEMBL312326 0.68 TGFBR1 (0.52) KDM4ESMN1; SMN2ALDH1A1L3MBTL1CAMKK1
SCHEMBL3348254 0.66 EPHB3 (0.42) CAMKK1CAMKK2RAB9ANPC1CAMK2D
SCHEMBL17781194 0.66 TGFBR1 (0.53) KDM4ECAMKK1CAMKK2SCN5A
SCHEMBL860141 0.65 ERN1 (0.47) KDM4EALDH1A1L3MBTL1CAMKK1CAMKK2

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
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-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
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 KDM4E 1795/4885SMN1; SMN2 576/4885ALDH1A1 2703/4885
US-10544149-B2 Bicyclic alkyne derivatives and uses thereof MAPKAPK2, MAP4K2, MKNK2 KDM4E 1777/4885SMN1; SMN2 567/4885ALDH1A1 2664/4885
US-20180194771-A1 BICYCLIC ALKYNE DERIVATIVES AND USES THEREOF MAPKAPK2, CAMKK2, MKNK2 KDM4E 1795/4885SMN1; SMN2 576/4885ALDH1A1 2703/4885

“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.