SCHEMBL20162907

SCHEMBL20162907

COc1c[nH]c2nc(-c3ccccc3)nc(N)c12

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
DHPS P49366 6/20 0.48
DPP4 P27487 3/20 0.46
JAK2 O60674 1/20 0.43
JAK3 P52333 1/20 0.43
KMT2A Q03164 3/20 0.42
ALDH1A1 P00352 1/20 0.42
GLA P06280 1/20 0.42
POLB P06746 1/20 0.42
RAB9A P51151 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
CYP1A1 P04798 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP1B1 Q16678 1/20 0.42
KDM4E B2RXH2 1/20 0.40
ADORA3 P0DMS8 1/20 0.40
ADORA2A P29274 1/20 0.40
ADORA1 P30542 1/20 0.40
WHR1 P49842 1/20 0.40

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 0.85 MAPT (0.44) KMT2AALDH1A1POLBRAB9ASMN1; SMN2
SCHEMBL20162835 0.82 MAPK1 (0.36) JAK2JAK3
SCHEMBL20163011 0.81 FFAR1 (0.44) KMT2AALDH1A1RAB9ASMN1; SMN2KDM4E
SCHEMBL743277 0.79 LRRK2 (0.46) DPP4JAK2JAK3KMT2AALDH1A1
SCHEMBL29426211 0.77 POLB (0.42) DPP4KMT2AALDH1A1GLAPOLB
SCHEMBL20162949 0.73 DPP4 (0.40) DPP4KMT2AALDH1A1GLAPOLB
SCHEMBL20162892 0.73 CCNT1 (0.41) GLAKDM4EADORA3ADORA2AADORA1
SCHEMBL20162906 0.71 LRRK2 (0.45) JAK2JAK3KMT2A
SCHEMBL15742422 0.71 DHPS (0.60) DHPSDPP4KMT2APOLBCYP1A1
SCHEMBL5252239 0.69 KMT2A (0.68) DHPSDPP4KMT2AALDH1A1GLA

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 DHPS 1606/4885DPP4 682/4885JAK2 873/4885
US-20200017512-A1 PYRROLOPYRIMIDINES AS CFTR POTENTIATORS CFTR, P2RX1, P2RX5 DHPS 1606/4885DPP4 682/4885JAK2 873/4885
US-20190225621-A1 PYRROLOPYRIMIDINES AS CFTR POTENTIATORS CFTR, P2RX1, P2RX5 DHPS 1606/4885DPP4 682/4885JAK2 873/4885
US-20230250100-A1 Pyrrolopyrimidines as CFTR Potentiators CFTR, P2RX1, P2RX5 DHPS 1606/4885DPP4 682/4885JAK2 873/4885
US-10301315-B2 Pyrrolopyrimidines as CFTR potentiators CFTR, P2RX1, P2RX5 DHPS 1379/4885DPP4 663/4885JAK2 911/4885
US-20180141954-A1 PYRROLOPYRIMIDINES AS CFTR POTENTIATORS CFTR, P2RX1, P2RX5 DHPS 1379/4885DPP4 663/4885JAK2 911/4885

“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.