SCHEMBL25217469

SCHEMBL25217469

NCc1nnnn1-c1ccc(F)c(F)c1

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.41
LMNA P02545 3/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
NPSR1 Q6W5P4 1/20 0.41
CYP1A2 P05177 1/20 0.40
CYP2C19 P33261 1/20 0.40
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
HTT P42858 2/20 0.39
POLB P06746 1/20 0.39
PRMT1 Q99873 2/20 0.38
PKM P14618 1/20 0.36
NLRP3 Q96P20 1/20 0.36
BPTF Q12830 1/20 0.35
THRB P10828 1/20 0.35
RXRA P19793 1/20 0.35
GRIN1 Q05586 1/20 0.35
GRIN2B Q13224 1/20 0.35

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
SCHEMBL25213647 0.86 ALDH1A1 (0.48) ALDH1A1LMNAL3MBTL1NPSR1CYP1A2
SCHEMBL25407159 0.86 LMNA (0.44) ALDH1A1LMNAL3MBTL1NPSR1POLB
SCHEMBL25409359 0.86 LMNA (0.44) ALDH1A1LMNAL3MBTL1NPSR1PRMT1
SCHEMBL28188994 0.78 POLB (0.36) ALDH1A1LMNAHTTPOLBBPTF
SCHEMBL25218290 0.78 CYP1A2 (0.60) ALDH1A1LMNAL3MBTL1NPSR1CYP1A2
SCHEMBL25208715 0.77 ALDH1A1 (0.62) ALDH1A1LMNAL3MBTL1NPSR1CYP1A2
SCHEMBL29418000 0.77 TP53 (0.54) ALDH1A1LMNAL3MBTL1NPSR1MEN1
SCHEMBL25211552 0.77 TP53 (0.54) ALDH1A1LMNAL3MBTL1NPSR1MEN1
SCHEMBL25212846 0.77 TP53 (0.51) LMNA
SCHEMBL29417989 0.77 TP53 (0.51) LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230278984-A1 UREA DERIVATIVES AS PYRUVATE KINASE ACTIVATORS GLOBAL BLOOD THERAPEUTICS INC (US) 2023-09-07 US disclosed
EP-4188542-A1 UREA DERIVATIVES AS PYRUVATE KINASE ACTIVATORS Global Blood Therapeutics, Inc. (US) 2023-06-07 EP disclosed
WO-2022031735-A1 UREA DERIVATIVES AS PYRUVATE KINASE ACTIVATORS GLOBAL BLOOD THERAPEUTICS, INC. (US) 2022-02-10 WO 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 (1 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-20230278984-A1 UREA DERIVATIVES AS PYRUVATE KINASE ACTIVATORS PKM, PDK1, PDK2 ALDH1A1 1945/4885LMNA 679/4885L3MBTL1 1581/4885

“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.