SCHEMBL20162766

SCHEMBL20162766

Nc1nc(-c2cnc(C(F)(F)F)nc2)nc2[nH]ccc12

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DHFR P00374 2/20 0.37
NUDT1 P36639 2/20 0.36
DYRK1A Q13627 1/20 0.35
TTBK1 Q5TCY1 1/20 0.34
TTBK2 Q6IQ55 1/20 0.34
AURKA O14965 1/20 0.34
JAK2 O60674 1/20 0.34
PRKCA P17252 1/20 0.34
JAK1 P23458 1/20 0.34
KDR P35968 1/20 0.34
ULK1 O75385 1/20 0.33
MAPK1 P28482 1/20 0.33
TGFBR1 P36897 4/20 0.33
CCNT1 O60563 1/20 0.33
CCNA2 P20248 1/20 0.33
CDK2 P24941 1/20 0.33
CDK9 P50750 1/20 0.33
IKBKB O14920 2/20 0.32
CHUK O15111 2/20 0.32
PIK3CA P42336 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
SCHEMBL20162798 0.77 FEN1 (0.41) NUDT1KDRULK1MAPK1CCNT1
SCHEMBL14274543 0.74 ADORA1 (0.51) DYRK1AJAK2KDRCDK9IKBKB
SCHEMBL20162678 0.73 PDGFRB (0.45) DHFRDYRK1APIK3CA
SCHEMBL20162633 0.72 PIK3CA (0.46) DHFRTGFBR1PIK3CA
SCHEMBL1900222 0.72 CYP1A1 (0.53) DYRK1ATTBK1TTBK2IKBKBCHUK
SCHEMBL16497095 0.71 NUDT1 (0.43) NUDT1DYRK1ATTBK1TTBK2JAK2
SCHEMBL16826600 0.69 AURKA (0.52) AURKAMAPK1
SCHEMBL30165634 0.69 ADORA2A (0.47)
SCHEMBL18018441 0.68 KDR (0.36) DHFRAURKAKDRULK1PIK3CA
SCHEMBL16963640 0.68 ROCK2 (0.49) DYRK1AJAK2KDRMAPK1CDK2

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 5 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-20210171534-A1 Pyrrolopyrimidines as CFTR Potentiators CYSTIC FIBROSIS FOUNDATION 2021-06-10 US disclosed
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 (5 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-20210171534-A1 Pyrrolopyrimidines as CFTR Potentiators CFTR, P2RX1, P2RX5 DHFR 1324/4885NUDT1 1567/4885DYRK1A 942/4885
US-20200017512-A1 PYRROLOPYRIMIDINES AS CFTR POTENTIATORS CFTR, P2RX1, P2RX5 DHFR 1324/4885NUDT1 1567/4885DYRK1A 942/4885
US-20230250100-A1 Pyrrolopyrimidines as CFTR Potentiators CFTR, P2RX1, P2RX5 DHFR 1324/4885NUDT1 1567/4885DYRK1A 942/4885
US-10301315-B2 Pyrrolopyrimidines as CFTR potentiators CFTR, P2RX1, P2RX5 DHFR 1445/4885NUDT1 1605/4885DYRK1A 902/4885
US-20180141954-A1 PYRROLOPYRIMIDINES AS CFTR POTENTIATORS CFTR, P2RX1, P2RX5 DHFR 1445/4885NUDT1 1605/4885DYRK1A 902/4885

“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.