SCHEMBL20162973

SCHEMBL20162973

Nc1nc(-c2ccccc2)nc2[nH]cc(-c3cnns3)c12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LRRK2 Q5S007 1/20 0.38
ADORA2A P29274 6/20 0.36
ADORA1 P30542 5/20 0.36
ALDH1A1 P00352 2/20 0.35
RAB9A P51151 2/20 0.35
KMT2A Q03164 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
KDM4E B2RXH2 1/20 0.35
MEN1 O00255 1/20 0.35
NPC1 O15118 1/20 0.35
LMNA P02545 1/20 0.35
HPGD P15428 1/20 0.35
NFKB1 P19838 1/20 0.35
CASP3 P42574 1/20 0.35
NFKB2 Q00653 1/20 0.35
RELA Q04206 1/20 0.35
SENP8 Q96LD8 1/20 0.35
SENP7 Q9BQF6 1/20 0.35
SENP6 Q9GZR1 1/20 0.35
POLB P06746 2/20 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
SCHEMBL20162972 0.90 LRRK2 (0.40) LRRK2CHUKGRM5NTRK1CDK8
SCHEMBL743277 0.81 LRRK2 (0.46) LRRK2ADORA2AADORA1ALDH1A1RAB9A
SCHEMBL20162907 0.69 DHPS (0.48) ADORA2AADORA1ALDH1A1RAB9AKMT2A
SCHEMBL29426211 0.69 POLB (0.42) ADORA2AADORA1ALDH1A1RAB9AKMT2A
SCHEMBL20162949 0.68 DPP4 (0.40) LRRK2ADORA2AADORA1ALDH1A1RAB9A
SCHEMBL2204601 0.65 ALDH1A1 (0.44) ADORA2AADORA1ALDH1A1RAB9AKMT2A
SCHEMBL3716787 0.64 NPC1 (0.46) ADORA2AADORA1ALDH1A1RAB9AKMT2A
SCHEMBL20162906 0.63 LRRK2 (0.45) LRRK2KMT2AMEN1CHUKGRM5
SCHEMBL6993258 0.62 ALDH1A1 (0.47) ADORA2AALDH1A1RAB9AKMT2ASMN1; SMN2
SCHEMBL18040266 0.62 DPP4 (0.49) ADORA2AADORA1ALDH1A1RAB9AKMT2A

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 8 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
EP-3541390-A1 PYRROLOPYRIMIDINES AS CFTR POTENTIATORS Cystic Fibrosis Foundation Therapeutics Inc. (US) 2019-09-25 EP 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
WO-2018094137-A1 PYRROLOPYRIMIDINES AS CFTR POTENTIATORS CYSTIC FIBROSIS FOUNDATION THERAPEUTICS INC. (US) 2018-05-24 WO 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 LRRK2 1435/4885ADORA2A 1304/4885ADORA1 575/4885
US-20200017512-A1 PYRROLOPYRIMIDINES AS CFTR POTENTIATORS CFTR, P2RX1, P2RX5 LRRK2 1435/4885ADORA2A 1304/4885ADORA1 575/4885
US-20190225621-A1 PYRROLOPYRIMIDINES AS CFTR POTENTIATORS CFTR, P2RX1, P2RX5 LRRK2 1435/4885ADORA2A 1304/4885ADORA1 575/4885
US-20230250100-A1 Pyrrolopyrimidines as CFTR Potentiators CFTR, P2RX1, P2RX5 LRRK2 1435/4885ADORA2A 1304/4885ADORA1 575/4885
US-10301315-B2 Pyrrolopyrimidines as CFTR potentiators CFTR, P2RX1, P2RX5 LRRK2 1373/4885ADORA2A 1456/4885ADORA1 560/4885
US-20180141954-A1 PYRROLOPYRIMIDINES AS CFTR POTENTIATORS CFTR, P2RX1, P2RX5 LRRK2 1373/4885ADORA2A 1456/4885ADORA1 560/4885

“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.