SCHEMBL30538072

SCHEMBL30538072

[2H]c1cn(-c2ccc(F)cc2F)nn1

nearest known ligand 0.56

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ SIGMAR1 Q99720 1/20 0.39
▸ NOTUM Q6P988 3/20 0.37
▸ KEAP1 Q14145 1/20 0.37
▸ NPC1 O15118 1/20 0.36
▸ RAB9A P51151 1/20 0.36
▸ GLA P06280 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.31
▸ L3MBTL1 Q9Y468 1/20 0.31
▸ ACKR3 P25106 1/20 0.31
▸ CYP11B1 P15538 1/20 0.31
▸ CYP11B2 P19099 1/20 0.31
▸ LMNA P02545 1/20 0.31
▸ OPRM1 P35372 1/20 0.30

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
SCHEMBL28286576 0.82 NOTUM (0.56) SIGMAR1NOTUMKEAP1NPC1RAB9A
SCHEMBL30538064 0.79 NOTUM (0.42) NOTUMRAB9AALDH1A1
SCHEMBL30538087 0.72 RXRA (0.40) NOTUMKEAP1
SCHEMBL1131457 0.71 NOTUM (0.44) NOTUMALDH1A1
SCHEMBL16201982 0.70 GAA (0.53) NPC1RAB9AGLAALDH1A1L3MBTL1
SCHEMBL30038214 0.68 KCNN4 (0.52) NOTUMNPC1ALDH1A1L3MBTL1LMNA
SCHEMBL4302034 0.68 KCNN4 (0.52) NOTUMNPC1ALDH1A1L3MBTL1LMNA
SCHEMBL30538063 0.68 NPC1 (0.48) NPC1RAB9AGLAL3MBTL1OPRM1
SCHEMBL2357923 0.67 ALDH1A1 (0.41) SIGMAR1NPC1RAB9AGLAALDH1A1
SCHEMBL2749861 0.67 GLA (0.35) SIGMAR1NPC1RAB9AGLAALDH1A1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12612409-B2 Pyrrolopyrimidines as CFTR potentiators CYSTIC FIBROSIS FOUNDATION (US) 2026-04-28 — — US disclosed
US-20230250100-A1 Pyrrolopyrimidines as CFTR Potentiators CYSTIC FIBROSIS FOUNDATION THERAPEUTICS INC. 2023-08-10 — — 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 (2 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-20230250100-A1 Pyrrolopyrimidines as CFTR Potentiators CFTR, P2RX1, P2RX5 SIGMAR1 2267/4885NOTUM 3642/4885KEAP1 3737/4885
US-12612409-B2 Pyrrolopyrimidines as CFTR potentiators CFTR, CLCN2, SLC26A3 SIGMAR1 1219/4885NOTUM 3035/4885KEAP1 2896/4885

“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.

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