SCHEMBL20162949

SCHEMBL20162949

Nc1nc(-c2ccccc2)nc2[nH]cc(-n3nccn3)c12

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 1/20 0.40
POLB P06746 2/20 0.38
ALDH1A1 P00352 2/20 0.38
RAB9A P51151 2/20 0.38
KMT2A Q03164 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
GLA P06280 1/20 0.38
ADORA1 P30542 4/20 0.38
ADORA2A P29274 4/20 0.38
ADORA3 P0DMS8 2/20 0.38
ADORA2B P29275 2/20 0.38
CHUK O15111 1/20 0.36
LRRK2 Q5S007 1/20 0.36
KDM4E B2RXH2 1/20 0.36
MEN1 O00255 1/20 0.36
NPC1 O15118 1/20 0.36
LMNA P02545 1/20 0.36
HPGD P15428 1/20 0.36
NFKB1 P19838 1/20 0.36
CASP3 P42574 1/20 0.36

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
SCHEMBL743277 0.78 LRRK2 (0.46) DPP4POLBALDH1A1RAB9AKMT2A
SCHEMBL20162946 0.74 LRRK2 (0.43) CHUKLRRK2
SCHEMBL29426211 0.73 POLB (0.42) DPP4POLBALDH1A1RAB9AKMT2A
SCHEMBL20162907 0.73 DHPS (0.48) DPP4POLBALDH1A1RAB9AKMT2A
SCHEMBL3716787 0.68 NPC1 (0.46) DPP4POLBALDH1A1RAB9AKMT2A
SCHEMBL20162973 0.68 LRRK2 (0.38) DPP4POLBALDH1A1RAB9AKMT2A
SCHEMBL18040266 0.66 DPP4 (0.49) DPP4POLBALDH1A1RAB9AKMT2A
SCHEMBL14274543 0.65 ADORA1 (0.51) DPP4POLBALDH1A1RAB9AKMT2A
SCHEMBL1741363 0.64 ADORA2A (0.46) DPP4POLBKMT2AADORA1ADORA2A
SCHEMBL20162998 0.63 MAPT (0.44) POLBALDH1A1RAB9AKMT2ASMN1; SMN2

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 DPP4 682/4885POLB 255/4885ALDH1A1 3071/4885
US-20200017512-A1 PYRROLOPYRIMIDINES AS CFTR POTENTIATORS CFTR, P2RX1, P2RX5 DPP4 682/4885POLB 255/4885ALDH1A1 3071/4885
US-20190225621-A1 PYRROLOPYRIMIDINES AS CFTR POTENTIATORS CFTR, P2RX1, P2RX5 DPP4 682/4885POLB 255/4885ALDH1A1 3071/4885
US-20230250100-A1 Pyrrolopyrimidines as CFTR Potentiators CFTR, P2RX1, P2RX5 DPP4 682/4885POLB 255/4885ALDH1A1 3071/4885
US-10301315-B2 Pyrrolopyrimidines as CFTR potentiators CFTR, P2RX1, P2RX5 DPP4 663/4885POLB 251/4885ALDH1A1 2993/4885
US-20180141954-A1 PYRROLOPYRIMIDINES AS CFTR POTENTIATORS CFTR, P2RX1, P2RX5 DPP4 663/4885POLB 251/4885ALDH1A1 2993/4885

“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.