SCHEMBL20175456

SCHEMBL20175456

C=Nc1ncnc2[nH]c(C)c(-c3ccc(Cl)cc3)c12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 6/20 0.46
IKBKB O14920 1/20 0.39
MAP3K14 Q99558 1/20 0.39
CCNB2 O95067 1/20 0.37
CDK1 P06493 1/20 0.37
CCNB1 P14635 1/20 0.37
GSK3A P49840 1/20 0.37
GSK3B P49841 1/20 0.37
CDK5 Q00535 1/20 0.37
CDK5R1 Q15078 1/20 0.37
CCNB3 Q8WWL7 1/20 0.37
ABL1 P00519 1/20 0.36
ABL2 P42684 1/20 0.36
SLC2A1 P11166 1/20 0.35
ADK P55263 1/20 0.34
KIT P10721 1/20 0.34
KDR P35968 1/20 0.34
TEK Q02763 1/20 0.34
SCN10A Q9Y5Y9 1/20 0.34
LIMK1 P53667 2/20 0.33

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
SCHEMBL20173293 0.81 MAPT (0.44) EGFRIKBKBMAP3K14CCNB2CDK1
SCHEMBL20162856 0.81 MAPT (0.44) EGFRIKBKBMAP3K14CCNB2CDK1
SCHEMBL20162858 0.81 MAPT (0.44) EGFRIKBKBMAP3K14CCNB2CDK1
SCHEMBL20162985 0.80 IKBKB (0.50) EGFRIKBKBMAP3K14CDK5ABL1
SCHEMBL23481367 0.66 PIK3CD (0.41) EGFRIKBKBMAP3K14ABL1ABL2
SCHEMBL23452143 0.64 MAP3K14 (0.48) IKBKBMAP3K14CCNB2CDK1CCNB1
SCHEMBL20162699 0.63 SRC (0.48) EGFRIKBKBMAP3K14CDK5ABL1
SCHEMBL2464688 0.63 EGFR (1.00) EGFRCDK1ABL1ABL2
SCHEMBL27669799 0.62 IDO1 (0.46) EGFRCDK5CDK5R1MAPT
SCHEMBL2458392 0.62 EGFR (0.78) EGFRABL1ABL2KDRLRRK2

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-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 (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-10301315-B2 Pyrrolopyrimidines as CFTR potentiators CFTR, P2RX1, P2RX5 EGFR 1861/4885IKBKB 506/4885MAP3K14 3711/4885
US-20180141954-A1 PYRROLOPYRIMIDINES AS CFTR POTENTIATORS CFTR, P2RX1, P2RX5 EGFR 1861/4885IKBKB 506/4885MAP3K14 3711/4885

“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.