SCHEMBL30538057

SCHEMBL30538057

[2H]c1cn(-c2ccccc2F)cn1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 3/20 0.41
▸ TDP1 Q9NUW8 2/20 0.41
▸ MEN1 O00255 2/20 0.41
▸ KMT2A Q03164 2/20 0.41
▸ CYP1A2 P05177 2/20 0.41
▸ CYP2D6 P10635 2/20 0.41
▸ CYP2C9 P11712 2/20 0.41
▸ CYP2C19 P33261 2/20 0.41
▸ ALDH1A1 P00352 2/20 0.41
▸ LMNA P02545 1/20 0.41
▸ MAPT P10636 1/20 0.41
▸ MAPK1 P28482 1/20 0.41
▸ PMP22 Q01453 1/20 0.41
▸ IDO1 P14902 1/20 0.41
▸ PTGS1 P23219 1/20 0.41
▸ PTGS2 P35354 1/20 0.41
▸ RAB9A P51151 1/20 0.38
▸ MGLL Q99685 1/20 0.36
▸ GAA P10253 1/20 0.35
▸ HPGD P15428 1/20 0.34

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
SCHEMBL2587178 0.81 IDO1 (0.61) CYP3A4TDP1MEN1KMT2ACYP1A2
SCHEMBL29793891 0.81 IDO1 (0.61) CYP3A4TDP1MEN1KMT2ACYP1A2
SCHEMBL12841362 0.71 RAB9A (0.44) TDP1MEN1KMT2AALDH1A1LMNA
SCHEMBL5859161 0.71 GAA (0.52) TDP1MEN1KMT2AALDH1A1LMNA
SCHEMBL29946847 0.71 GAA (0.52) TDP1MEN1KMT2AALDH1A1LMNA
SCHEMBL30538064 0.67 NOTUM (0.42) TDP1MEN1KMT2AALDH1A1PTGS1
SCHEMBL17361199 0.67 CYP3A4 (0.54) CYP3A4TDP1MEN1KMT2ACYP1A2
SCHEMBL31408101 0.65 IDO1 (0.73) CYP3A4TDP1MEN1KMT2ACYP1A2
SCHEMBL16382293 0.65 IDO1 (0.73) CYP3A4TDP1MEN1KMT2ACYP1A2
SCHEMBL28832456 0.64 CYP3A4 (0.51) CYP3A4TDP1MEN1KMT2ACYP1A2

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 CYP3A4 1107/4885TDP1 719/4885MEN1 4087/4885
US-12612409-B2 Pyrrolopyrimidines as CFTR potentiators CFTR, CLCN2, SLC26A3 CYP3A4 1037/4885TDP1 1755/4885MEN1 4738/4885

“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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