SCHEMBL16236686

SCHEMBL16236686

Nc1ncnc2c1c(I)cn2Cc1ccncc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DYRK3 O43781 1/20 0.52
▸ ROCK2 O75116 1/20 0.52
▸ PRKD3 O94806 1/20 0.52
▸ MAP4K4 O95819 1/20 0.52
▸ PHKG2 P15735 1/20 0.52
▸ PRKACA P17612 1/20 0.52
▸ RPS6KB1 P23443 1/20 0.52
▸ MARK3 P27448 1/20 0.52
▸ FLT3 P36888 1/20 0.52
▸ CSNK1A1 P48729 1/20 0.52
▸ CSNK1D P48730 1/20 0.52
▸ CLK2 P49760 1/20 0.52
▸ IRAK1 P51617 1/20 0.52
▸ CSNK1G2 P78368 1/20 0.52
▸ MAP4K2 Q12851 1/20 0.52
▸ ROCK1 Q13464 1/20 0.52
▸ CAMK2G Q13555 1/20 0.52
▸ CAMK2D Q13557 1/20 0.52
▸ DYRK1A Q13627 1/20 0.52
▸ MELK Q14680 1/20 0.52

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
SCHEMBL3811612 0.87 DYRK3 (0.56) DYRK3ROCK2PRKD3MAP4K4PHKG2
SCHEMBL16235957 0.84 ADK (0.40) DYRK3ROCK2PRKD3MAP4K4PHKG2
SCHEMBL16236697 0.84 DYRK3 (0.48) DYRK3ROCK2PRKD3MAP4K4PHKG2
SCHEMBL17406906 0.80 RET (0.40) FLT3RETADORA2API4KAPI4K2B
SCHEMBL3817538 0.80 SLC29A1 (0.47) DYRK3ROCK2PRKD3MAP4K4PHKG2
SCHEMBL3813067 0.77 SRC (0.48) DYRK3ROCK2PRKD3MAP4K4PHKG2
SCHEMBL19779801 0.76 KLKB1 (0.47) DYRK3ROCK2PRKD3MAP4K4PHKG2
SCHEMBL3782622 0.76 DYRK3 (0.59) DYRK3ROCK2PRKD3MAP4K4PHKG2
SCHEMBL29503447 0.76 DYRK3 (0.59) DYRK3ROCK2PRKD3MAP4K4PHKG2
SCHEMBL29484487 0.75 SRC (0.50) DYRK3ROCK2PRKD3MAP4K4PHKG2

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 6 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
EP-2997030-A1 PYRROLO[2,3-D]PYRIMIDINE DERIVATIVES, PROCESS FOR THEIR PREPARATION AND THEIR USE AS KINASE INHIBITORS NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2016-03-23 — — EP disclosed
CN-105431436-A Pyrrolo [2,3-D ] pyrimidine derivatives, processes for their preparation and their use as kinase inhibitors NERVIANO MEDICAL SCIENCES SRL 2016-03-23 — — CN disclosed
WO-2014184069-A1 PYRROLO[2,3-D]PYRIMIDINE DERIVATIVES, PROCESS FOR THEIR PREPARATION AND THEIR USE AS KINASE INHIBITORS NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2014-11-20 — — 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-20160166575-A1 PYRROLO[2,3-D]PYRIMIDINE DERIVATIVES, PROCESS FOR THEIR PREPARATION AND THEIR USE AS KINASE INHIBITORS RET, DCK, PRKD2 DYRK3 705/4885ROCK2 547/4885PRKD3 8/4885

“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.

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