SCHEMBL20162835

SCHEMBL20162835

COc1c[nH]c2nc(-c3cncnc3)nc(N)c12

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.36
MAP3K11 Q16584 1/20 0.36
NTRK1 P04629 2/20 0.36
KIT P10721 1/20 0.36
PIK3CA P42336 1/20 0.36
CCNT1 O60563 2/20 0.35
CCNA2 P20248 2/20 0.35
CDK2 P24941 2/20 0.35
CDK9 P50750 2/20 0.35
CCNA1 P78396 2/20 0.35
CDK5 Q00535 2/20 0.35
CDK5R1 Q15078 2/20 0.35
NEK1 Q96PY6 1/20 0.35
ERN1 O75460 1/20 0.35
JAK2 O60674 1/20 0.34
JAK3 P52333 1/20 0.34
DYRK1A Q13627 1/20 0.34

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
SCHEMBL20162998 0.84 MAPT (0.44) MAPK1KIT
SCHEMBL20162907 0.82 DHPS (0.48) JAK2JAK3
SCHEMBL20162869 0.81 ROCK2 (0.39) MAPK1NEK1DYRK1A
SCHEMBL20162892 0.77 CCNT1 (0.41) CCNT1CCNA2CDK2CDK9CCNA1
SCHEMBL20162834 0.76 MAPK1 (0.43) MAPK1MAP3K11NTRK1KITPIK3CA
SCHEMBL20163011 0.72 FFAR1 (0.44) PIK3CACCNT1CCNA2CDK2CDK9
SCHEMBL30849073 0.71 KMT2A (0.42) ERN1
SCHEMBL27409677 0.71 KMT2A (0.42) ERN1
SCHEMBL20162868 0.71 DYRK1A (0.46) MAPK1CDK9DYRK1A
SCHEMBL38651347 0.67 DHPS (0.35)

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
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-20190225621-A1 PYRROLOPYRIMIDINES AS CFTR POTENTIATORS CYSTIC FIBROSIS FOUNDATION 2019-07-25 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 (6 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 MAPK1 2745/4885MAP3K11 3171/4885NTRK1 2731/4885
US-20200017512-A1 PYRROLOPYRIMIDINES AS CFTR POTENTIATORS CFTR, P2RX1, P2RX5 MAPK1 2745/4885MAP3K11 3171/4885NTRK1 2731/4885
US-20190225621-A1 PYRROLOPYRIMIDINES AS CFTR POTENTIATORS CFTR, P2RX1, P2RX5 MAPK1 2745/4885MAP3K11 3171/4885NTRK1 2731/4885
US-20230250100-A1 Pyrrolopyrimidines as CFTR Potentiators CFTR, P2RX1, P2RX5 MAPK1 2745/4885MAP3K11 3171/4885NTRK1 2731/4885
US-10301315-B2 Pyrrolopyrimidines as CFTR potentiators CFTR, P2RX1, P2RX5 MAPK1 2699/4885MAP3K11 3329/4885NTRK1 2815/4885
US-20180141954-A1 PYRROLOPYRIMIDINES AS CFTR POTENTIATORS CFTR, P2RX1, P2RX5 MAPK1 2699/4885MAP3K11 3329/4885NTRK1 2815/4885

“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.