SCHEMBL20162998

SCHEMBL20162998

COc1c[nH]c2nc(-c3cccnc3)nc(N)c12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.44
NPSR1 Q6W5P4 2/20 0.44
MEN1 O00255 2/20 0.44
ALDH1A1 P00352 2/20 0.44
KMT2A Q03164 2/20 0.44
GAA P10253 1/20 0.44
KIT P10721 1/20 0.42
NPC1 O15118 3/20 0.42
RAB9A P51151 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
KDM4E B2RXH2 1/20 0.42
NFKB1 P19838 1/20 0.42
NFKB2 Q00653 1/20 0.42
RELA Q04206 1/20 0.42
POLB P06746 2/20 0.42
F12 P00748 2/20 0.42
F2 P00734 1/20 0.42
LMNA P02545 2/20 0.41
PDGFRB P09619 1/20 0.41
ATM Q13315 1/20 0.41

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
SCHEMBL20162907 0.85 DHPS (0.48) ALDH1A1KMT2ARAB9ASMN1; SMN2KDM4E
SCHEMBL20162835 0.84 MAPK1 (0.36) KITMAPK1
SCHEMBL20162892 0.79 CCNT1 (0.41) KDM4EKLK3
SCHEMBL20163011 0.76 FFAR1 (0.44) MAPTMEN1ALDH1A1KMT2AGAA
SCHEMBL20162997 0.75 MAPK1 (0.46) NPSR1KITKDM4EMAPK1PDPK1
SCHEMBL11875439 0.72 PDPK1 (0.62) MAPTNPSR1MEN1ALDH1A1KMT2A
SCHEMBL29859473 0.70 SMN1; SMN2 (0.57) MAPTNPSR1MEN1ALDH1A1NPC1
SCHEMBL11004734 0.69 LMNA (0.46) MAPTNPSR1ALDH1A1NPC1RAB9A
SCHEMBL29426144 0.69 DYRK1A (0.46) NPSR1NPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL14474404 0.66 ABCG2 (0.62) MAPTNPSR1MEN1ALDH1A1KMT2A

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 MAPT 4878/4885NPSR1 549/4885MEN1 4087/4885
US-20200017512-A1 PYRROLOPYRIMIDINES AS CFTR POTENTIATORS CFTR, P2RX1, P2RX5 MAPT 4878/4885NPSR1 549/4885MEN1 4087/4885
US-20190225621-A1 PYRROLOPYRIMIDINES AS CFTR POTENTIATORS CFTR, P2RX1, P2RX5 MAPT 4878/4885NPSR1 549/4885MEN1 4087/4885
US-20230250100-A1 Pyrrolopyrimidines as CFTR Potentiators CFTR, P2RX1, P2RX5 MAPT 4878/4885NPSR1 549/4885MEN1 4087/4885
US-10301315-B2 Pyrrolopyrimidines as CFTR potentiators CFTR, P2RX1, P2RX5 MAPT 4877/4885NPSR1 553/4885MEN1 4154/4885
US-20180141954-A1 PYRROLOPYRIMIDINES AS CFTR POTENTIATORS CFTR, P2RX1, P2RX5 MAPT 4877/4885NPSR1 553/4885MEN1 4154/4885

“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.