SCHEMBL30538064

SCHEMBL30538064

[2H]c1cn(-c2ccccc2F)nn1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ NOTUM Q6P988 2/20 0.42
▸ MEN1 O00255 2/20 0.36
▸ KMT2A Q03164 2/20 0.36
▸ MGLL Q99685 1/20 0.36
▸ RAB9A P51151 1/20 0.34
▸ TDP1 Q9NUW8 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ HPGD P15428 1/20 0.34
▸ PTGS1 P23219 1/20 0.34
▸ PTGS2 P35354 1/20 0.34
▸ ADORA1 P30542 1/20 0.34
▸ KCNN4 O15554 5/20 0.33
▸ GRM4 Q14833 1/20 0.33
▸ ADORA3 P0DMS8 1/20 0.33
▸ DRD4 P21917 1/20 0.32

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
SCHEMBL30538087 0.86 RXRA (0.40) NOTUM
SCHEMBL20605667 0.81 NOTUM (0.50) NOTUMMEN1KMT2AMGLLADORA1
SCHEMBL29793813 0.81 NOTUM (0.50) NOTUMMEN1KMT2AMGLLADORA1
SCHEMBL30538072 0.79 SIGMAR1 (0.39) NOTUMRAB9AALDH1A1
SCHEMBL29379236 0.72 NOTUM (0.47) NOTUMALDH1A1HPGD
SCHEMBL29376270 0.71 NOTUM (0.49) NOTUM
SCHEMBL13078703 0.68 MAPT (0.52) NOTUMKMT2ARAB9AALDH1A1HPGD
SCHEMBL255339 0.67 MAPK1 (0.56) NOTUMMEN1KMT2AMGLLALDH1A1
SCHEMBL29635605 0.67 MAPK1 (0.56) NOTUMMEN1KMT2AMGLLALDH1A1
SCHEMBL30538057 0.67 CYP3A4 (0.41) MEN1KMT2AMGLLRAB9ATDP1

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 NOTUM 3642/4885MEN1 4087/4885KMT2A 4318/4885
US-12612409-B2 Pyrrolopyrimidines as CFTR potentiators CFTR, CLCN2, SLC26A3 NOTUM 3035/4885MEN1 4738/4885KMT2A 4855/4885

“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.

Send feedback