SCHEMBL17818406

SCHEMBL17818406

Clc1ncnc2c1c(I)cn2CC1CCCCC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADK P55263 7/20 0.41
SLC29A1 Q99808 1/20 0.41
YTHDC1 Q96MU7 1/20 0.40
ACACB O00763 2/20 0.39
DYRK3 O43781 1/20 0.34
ROCK2 O75116 1/20 0.34
PRKD3 O94806 1/20 0.34
MAP4K4 O95819 1/20 0.34
PHKG2 P15735 1/20 0.34
PRKACA P17612 1/20 0.34
RPS6KB1 P23443 1/20 0.34
MARK3 P27448 1/20 0.34
FLT3 P36888 1/20 0.34
CSNK1A1 P48729 1/20 0.34
CSNK1D P48730 1/20 0.34
CLK2 P49760 1/20 0.34
IRAK1 P51617 1/20 0.34
CSNK1G2 P78368 1/20 0.34
MAP4K2 Q12851 1/20 0.34
ROCK1 Q13464 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
SCHEMBL17749198 0.96 ADK (0.42) ADKSLC29A1YTHDC1ACACBDYRK3
SCHEMBL400113 0.93 ADK (0.44) ADKSLC29A1YTHDC1ACACBDYRK3
SCHEMBL20351626 0.87 ADK (0.42) ADKSLC29A1ACACBDYRK3ROCK2
SCHEMBL20351559 0.86 ADK (0.40) ADKSLC29A1ACACBDYRK3ROCK2
SCHEMBL16236133 0.84 MAP4K4 (0.51) ADKACACBDYRK3ROCK2PRKD3
SCHEMBL17406865 0.81 OPRM1 (0.36) YTHDC1ACACBPDE1APDE1BPDE1C
SCHEMBL16236821 0.80 DYRK3 (0.52) ADKACACBDYRK3ROCK2PRKD3
SCHEMBL19264267 0.76 ACACB (0.44) ADKYTHDC1ACACBSCN9A
SCHEMBL22086530 0.76 ADK (0.51) ADKSLC29A1MAP4K4PRKACAFLT3
SCHEMBL16236685 0.76 ADK (0.51) ADKSLC29A1MAP4K4PRKACAFLT3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2997030-B1 PYRROLO[2,3-D]PYRIMIDINE DERIVATIVES, PROCESS FOR THEIR PREPARATION AND THEIR USE AS KINASE INHIBITORS NERVIANO MEDICAL SCIENCES SRL (IT) 2017-08-09 EP disclosed
US-9682083-B2 Pyrrolo[2,3-D]pyrimidine derivatives, process for their preparation and their use as kinase inhibitors NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2017-06-20 US disclosed
US-20160166575-A1 PYRROLO[2,3-D]PYRIMIDINE DERIVATIVES, PROCESS FOR THEIR PREPARATION AND THEIR USE AS KINASE INHIBITORS NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2016-06-16 US 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-20160166575-A1 PYRROLO[2,3-D]PYRIMIDINE DERIVATIVES, PROCESS FOR THEIR PREPARATION AND THEIR USE AS KINASE INHIBITORS RET, DCK, PRKD2 ADK 64/4885SLC29A1 1578/4885YTHDC1 1868/4885

“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.