SCHEMBL20162892

SCHEMBL20162892

COc1c[nH]c2nc(-c3cnccn3)nc(N)c12

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CCNT1 O60563 4/20 0.41
CDK9 P50750 4/20 0.41
CDK5 Q00535 4/20 0.41
CDK5R1 Q15078 4/20 0.41
CCNA2 P20248 3/20 0.41
CDK2 P24941 3/20 0.41
CCNA1 P78396 3/20 0.41
KDM4E B2RXH2 1/20 0.40
GLA P06280 1/20 0.40
ADORA2A P29274 3/20 0.39
ADORA1 P30542 3/20 0.39
ADORA3 P0DMS8 2/20 0.39
ADORA2B P29275 2/20 0.39
HTT P42858 1/20 0.37
RECQL P46063 1/20 0.37
KLK3 P07288 1/20 0.35
LRRK2 Q5S007 1/20 0.33
CHEK1 O14757 1/20 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
SCHEMBL20163011 0.82 FFAR1 (0.44) CCNT1CDK9CDK5CDK5R1CCNA2
SCHEMBL20162998 0.79 MAPT (0.44) KDM4EKLK3
SCHEMBL20162835 0.77 MAPK1 (0.36) CCNT1CDK9CDK5CDK5R1CCNA2
SCHEMBL20162891 0.74 CDK9 (0.43) CCNT1CDK9CDK5CDK5R1CCNA2
SCHEMBL20162907 0.73 DHPS (0.48) KDM4EGLAADORA2AADORA1ADORA3
SCHEMBL30958344 0.66 ADORA2A (0.43) CDK2KDM4EGLAADORA2AADORA1
SCHEMBL4780009 0.64 NPC1 (0.46) KDM4EGLAADORA2AADORA1HTT
SCHEMBL6984936 0.63 KDM4E (0.53) KDM4EGLAADORA2AADORA1ADORA3
SCHEMBL1442637 0.63 LMNA (0.44) KDM4EGLAHTTRECQL
SCHEMBL23647932 0.62 HSP90AA1 (0.48) KDM4EGLAADORA2AADORA1HTT

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 CCNT1 997/4885CDK9 2980/4885CDK5 2888/4885
US-20200017512-A1 PYRROLOPYRIMIDINES AS CFTR POTENTIATORS CFTR, P2RX1, P2RX5 CCNT1 997/4885CDK9 2980/4885CDK5 2888/4885
US-20190225621-A1 PYRROLOPYRIMIDINES AS CFTR POTENTIATORS CFTR, P2RX1, P2RX5 CCNT1 997/4885CDK9 2980/4885CDK5 2888/4885
US-20230250100-A1 Pyrrolopyrimidines as CFTR Potentiators CFTR, P2RX1, P2RX5 CCNT1 997/4885CDK9 2980/4885CDK5 2888/4885
US-10301315-B2 Pyrrolopyrimidines as CFTR potentiators CFTR, P2RX1, P2RX5 CCNT1 928/4885CDK9 3014/4885CDK5 2954/4885
US-20180141954-A1 PYRROLOPYRIMIDINES AS CFTR POTENTIATORS CFTR, P2RX1, P2RX5 CCNT1 928/4885CDK9 3014/4885CDK5 2954/4885

“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.