SCHEMBL1069686

SCHEMBL1069686

Oc1nc(Cl)nc2ccc(I)cc12

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.39
DYRK1A Q13627 3/20 0.38
CDK9 P50750 2/20 0.38
DYRK2 Q92630 2/20 0.38
DYRK1B Q9Y463 2/20 0.38
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
LMNA P02545 1/20 0.36
MAPT P10636 1/20 0.36
PARP1 P09874 1/20 0.35
TUBB4A P04350 1/20 0.34
TUBB P07437 1/20 0.34
TUBA3C P0DPH7 1/20 0.34
TUBA1B P68363 1/20 0.34
TUBA4A P68366 1/20 0.34
TUBB4B P68371 1/20 0.34
TUBB3 Q13509 1/20 0.34
TUBB2A Q13885 1/20 0.34
TUBB8 Q3ZCM7 1/20 0.34
TUBA3E Q6PEY2 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
SCHEMBL8361293 0.81 ALDH1A1 (0.42) HTTKDM4EALDH1A1LMNAMAPT
SCHEMBL1069650 0.81 HTT (0.41) HTTDYRK1ACDK9DYRK2DYRK1B
SCHEMBL3761274 0.81 PARP1 (0.37) DYRK1ACDK9DYRK2DYRK1BPARP1
SCHEMBL3766829 0.79 PARP1 (0.36) DYRK1ACDK9DYRK2DYRK1BPARP1
SCHEMBL3766836 0.79 PARP1 (0.36) DYRK1ACDK9DYRK2DYRK1BPARP1
SCHEMBL21500701 0.78 HTT (0.64) HTTKDM4EALDH1A1LMNAMAPT
SCHEMBL11219383 0.78 KDM4E (0.58) KDM4EALDH1A1LMNAMAPTKMT2A
SCHEMBL30376225 0.78 HTT (0.64) HTTKDM4EALDH1A1LMNAMAPT
SCHEMBL27823530 0.78 DHODH (0.44) HTTKDM4EALDH1A1KMT2A
SCHEMBL14584683 0.74 C1R (0.31) HTTKDM4EALDH1A1LMNAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2268285-B1 THERAPEUTIC COMPOUNDS MERCK SHARP & DOHME (US) 2018-06-27 EP disclosed
US-8591878-B2 Therapeutic compounds MERCK SHARP & DOHME CORP. (US) 2013-11-26 US disclosed
US-20110002884-A1 THERAPEUTIC COMPOUNDS MERCK SHARP & DOHME LLC 2011-01-06 US disclosed
EP-2268285-A1 THERAPEUTIC COMPOUNDS Merck Sharp & Dohme Corp. (US) 2011-01-05 EP disclosed
WO-2009108507-A1 THERAPEUTIC COMPOUNDS MERCK & CO., INC. (US) 2009-09-03 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 (1 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-20110002884-A1 THERAPEUTIC COMPOUNDS RRP1B, ZC3HAV1, RNASE1 HTT 3250/4885DYRK1A 4835/4885CDK9 656/4885

“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.