SCHEMBL20173331

SCHEMBL20173331

Cc1ncccc1-c1cn(Cc2cnn(-c3ccc(C(F)F)cc3)c2)c2ncnc(N)c12

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
RET P07949 2/20 0.38
SRC P12931 7/20 0.37
EGFR P00533 2/20 0.36
CDK1 P06493 2/20 0.36
DRD2 P14416 2/20 0.33
DRD4 P21917 2/20 0.33
DRD3 P35462 2/20 0.33
RIPK2 O43353 1/20 0.33
EIF2AK3 Q9NZJ5 3/20 0.33
KDR P35968 2/20 0.33
ABL1 P00519 1/20 0.33
ABL2 P42684 1/20 0.33
PIK3CD O00329 1/20 0.33
PDPK1 O15530 1/20 0.32
FLT3 P36888 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
SCHEMBL30037915 0.89 SRC (0.39) RETSRCEGFRCDK1EIF2AK3
SCHEMBL20162631 0.89 SRC (0.39) RETSRCEGFRCDK1EIF2AK3
SCHEMBL30038228 0.74 EIF2AK3 (0.41) RETSRCEGFREIF2AK3
SCHEMBL20162839 0.74 EIF2AK3 (0.41) RETSRCEGFREIF2AK3
SCHEMBL20162760 0.70 CFTR (0.55) RETSRCEGFRCDK1DRD2
SCHEMBL30538103 0.70 CFTR (0.55) RETSRCEGFRCDK1DRD2
SCHEMBL20162900 0.66 SRC (0.47) RETSRCEGFRCDK1KDR
SCHEMBL20162794 0.65 SRC (0.37) RETSRCEGFRCDK1RIPK2
SCHEMBL20162919 0.65 SRC (0.42) RETSRCEGFRCDK1EIF2AK3
SCHEMBL20162952 0.65 CFTR (0.57) RETSRCEGFRABL1ABL2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230250100-A1 Pyrrolopyrimidines as CFTR Potentiators CYSTIC FIBROSIS FOUNDATION THERAPEUTICS INC. 2023-08-10 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 (2 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-20230250100-A1 Pyrrolopyrimidines as CFTR Potentiators CFTR, P2RX1, P2RX5 RET 916/4885SRC 3551/4885EGFR 1738/4885
US-20180141954-A1 PYRROLOPYRIMIDINES AS CFTR POTENTIATORS CFTR, P2RX1, P2RX5 RET 962/4885SRC 3742/4885EGFR 1861/4885

“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.