SCHEMBL16620668

SCHEMBL16620668

COc1ccc(Cn2ncc3c(I)ccnc32)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.53
ALDH1A1 P00352 2/20 0.53
MAPT P10636 2/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
HPGD P15428 1/20 0.51
ALOX15 P16050 1/20 0.51
NPSR1 Q6W5P4 1/20 0.51
HSD17B10 Q99714 1/20 0.51
NPBWR1 P48145 6/20 0.46
PDE1A P54750 3/20 0.45
PDE1B Q01064 3/20 0.45
PDE1C Q14123 3/20 0.45
CYP17A1 P05093 1/20 0.45
CYP1A2 P05177 1/20 0.45
PKM P14618 1/20 0.43
PKLR P30613 1/20 0.43
MCHR1 Q99705 1/20 0.43
CNR2 P34972 4/20 0.41
GAA P10253 1/20 0.41
CNR1 P21554 1/20 0.41

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
SCHEMBL1943995 0.85 LMNA (0.54) LMNAALDH1A1MAPTSMN1; SMN2HPGD
SCHEMBL1944851 0.84 LMNA (0.53) LMNAALDH1A1MAPTSMN1; SMN2HPGD
SCHEMBL25237607 0.83 LMNA (0.52) LMNAALDH1A1MAPTSMN1; SMN2HPGD
SCHEMBL20176616 0.83 LMNA (0.52) LMNAALDH1A1MAPTSMN1; SMN2HPGD
SCHEMBL3724625 0.82 LMNA (0.51) LMNAALDH1A1MAPTSMN1; SMN2HPGD
SCHEMBL2598351 0.79 NPBWR1 (0.49) LMNAALDH1A1MAPTSMN1; SMN2HPGD
SCHEMBL2793864 0.78 ALDH1A1 (0.50) LMNAALDH1A1MAPTSMN1; SMN2HPGD
SCHEMBL20176618 0.78 LMNA (0.52) LMNAALDH1A1MAPTSMN1; SMN2HPGD
SCHEMBL31140713 0.78 ALDH1A1 (0.49) LMNAALDH1A1MAPTSMN1; SMN2HPGD
SCHEMBL25242471 0.78 ALDH1A1 (0.49) LMNAALDH1A1MAPTSMN1; SMN2HPGD

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 LMNA 3707/4885ALDH1A1 2703/4885MAPT 665/4885
US-10544149-B2 Bicyclic alkyne derivatives and uses thereof MAPKAPK2, MAP4K2, MKNK2 LMNA 3785/4885ALDH1A1 2664/4885MAPT 702/4885
US-20180194771-A1 BICYCLIC ALKYNE DERIVATIVES AND USES THEREOF MAPKAPK2, CAMKK2, MKNK2 LMNA 3707/4885ALDH1A1 2703/4885MAPT 665/4885

“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.