SCHEMBL20175267

SCHEMBL20175267

C=Nc1nc(C)nc2[nH]cc(-c3ccc(Cl)cc3)c12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 9/20 0.46
DYRK1B Q9Y463 6/20 0.38
DYRK2 Q92630 5/20 0.38
PIM1 P11309 4/20 0.38
CDK9 P50750 3/20 0.37
LRRK2 Q5S007 3/20 0.36
AXL P30530 2/20 0.35
MET P08581 1/20 0.35
MERTK Q12866 1/20 0.35
HSP90AA1 P07900 1/20 0.34
HSP90AB1 P08238 1/20 0.34
CLK1 P49759 1/20 0.34
BRAF P15056 1/20 0.33
TNNI3K Q59H18 1/20 0.33
KIT P10721 2/20 0.33
CDK2 P24941 2/20 0.32
CDC7 O00311 1/20 0.32
PLK4 O00444 1/20 0.32
CHEK1 O14757 1/20 0.32
MAPK13 O15264 1/20 0.32

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
SCHEMBL20162792 0.81 DYRK1A (0.44) DYRK1ADYRK1BDYRK2PIM1CDK9
SCHEMBL20173289 0.81 DYRK1A (0.44) DYRK1ADYRK1BDYRK2PIM1CDK9
SCHEMBL20162791 0.81 DYRK1A (0.44) DYRK1ADYRK1BDYRK2PIM1CDK9
SCHEMBL20162986 0.79 DYRK1A (0.49) DYRK1ADYRK1BDYRK2PIM1CDK9
SCHEMBL20508806 0.63 DYRK1A (0.66) DYRK1ADYRK1BDYRK2PIM1CDK9
SCHEMBL3787081 0.62 SRC (0.50) DYRK1ADYRK1BPIM1CDK9LRRK2
SCHEMBL10649970 0.61 NPC1 (0.42) MAP4K4ALOX5
SCHEMBL24962591 0.59 IKBKB (0.41) CDK1GSK3AGSK3BCDK5
SCHEMBL20182173 0.59 PDK2 (0.45) DYRK1ADYRK1BDYRK2PIM1CDK9
SCHEMBL10307717 0.58 DYRK1A (0.38) DYRK1ADYRK1BDYRK2PIM1CDK9

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
US-20200017512-A1 PYRROLOPYRIMIDINES AS CFTR POTENTIATORS PFIZER INC. 2020-01-16 US disclosed
US-10301315-B2 Pyrrolopyrimidines as CFTR potentiators CYSTIC FIBROSIS FOUNDATION THERAPEUTICS, INC. (US) 2019-05-28 US disclosed
US-20180141954-A1 PYRROLOPYRIMIDINES AS CFTR POTENTIATORS CYSTIC FIBROSIS FOUNDATION THERAPEUTICS, INC. (US) 2018-05-24 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 (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-20200017512-A1 PYRROLOPYRIMIDINES AS CFTR POTENTIATORS CFTR, P2RX1, P2RX5 DYRK1A 942/4885DYRK1B 988/4885DYRK2 2061/4885
US-10301315-B2 Pyrrolopyrimidines as CFTR potentiators CFTR, P2RX1, P2RX5 DYRK1A 902/4885DYRK1B 901/4885DYRK2 2035/4885
US-20180141954-A1 PYRROLOPYRIMIDINES AS CFTR POTENTIATORS CFTR, P2RX1, P2RX5 DYRK1A 902/4885DYRK1B 901/4885DYRK2 2035/4885

“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.