SCHEMBL6401549

SCHEMBL6401549

Nc1nonc1-c1nc2ccc(F)cc2[nH]1

nearest known ligand 0.65

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.65
HPGD P15428 1/20 0.65
SMN1; SMN2 Q16637 1/20 0.65
NPSR1 Q6W5P4 1/20 0.65
RPS6KA5 O75582 3/20 0.60
AMY1A P0DUB6 9/20 0.48
METAP2 P50579 2/20 0.48
METAP1 P53582 2/20 0.48
CBFB Q13951 1/20 0.48
CYP11B1 P15538 1/20 0.47
TCF4 P15884 1/20 0.47
CTNNB1 P35222 1/20 0.47
IDO1 P14902 1/20 0.44
ALPL P05186 1/20 0.43
ALPI P09923 1/20 0.43
ALPG P10696 1/20 0.43
KCNK13 Q9HB14 1/20 0.43

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
SCHEMBL26922233 0.89 SMN1; SMN2 (0.65) ALDH1A1HPGDSMN1; SMN2NPSR1RPS6KA5
SCHEMBL30612244 0.89 SMN1; SMN2 (0.65) ALDH1A1HPGDSMN1; SMN2NPSR1RPS6KA5
SCHEMBL26921422 0.83 ALDH1A1 (0.65) ALDH1A1HPGDSMN1; SMN2NPSR1RPS6KA5
SCHEMBL1901356 0.80 HPGD (0.60) ALDH1A1HPGDSMN1; SMN2NPSR1RPS6KA5
SCHEMBL1160565 0.79 ALDH1A1 (1.00) ALDH1A1HPGDSMN1; SMN2NPSR1RPS6KA5
SCHEMBL4006784 0.78 METAP2 (0.56) AMY1AMETAP2METAP1CBFBCYP11B1
SCHEMBL6406163 0.78 ALDH1A1 (0.55) ALDH1A1HPGDSMN1; SMN2NPSR1RPS6KA5
SCHEMBL26922855 0.77 ALDH1A1 (0.50) ALDH1A1HPGDSMN1; SMN2NPSR1RPS6KA5
SCHEMBL1901797 0.77 ALDH1A1 (0.68) ALDH1A1HPGDSMN1; SMN2NPSR1RPS6KA5
SCHEMBL14364577 0.77 HPGD (0.60) ALDH1A1HPGDSMN1; SMN2NPSR1RPS6KA5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240158385-A1 NOVEL COMPOUNDS Cerevance, Inc. 2024-05-16 US disclosed
EP-4288433-A1 NOVEL COMPOUNDS Cerevance, Inc. (US) 2023-12-13 EP disclosed
CN-116981665-A Novel compounds 思瑞万斯公司 2023-10-31 CN disclosed
WO-2022167819-A1 NOVEL COMPOUNDS Cerevance, Inc. (US) 2022-08-11 WO disclosed
US-20050153978-A1 Medicaments GLAXO GROUP LIMITED (GB) 2005-07-14 US disclosed
EP-1487441-A2 BENZIMIDAZOLES AND THEIR USE AS MITOGEN-ACTIVATED- AND RHO-KINASE INHIBITORS GLAXO GROUP LIMITED (GB) 2004-12-22 EP disclosed
WO-2003080125-A2 BENZIMIDAZOLES AND THEIR USE AS MITOGEN-ACTIVATED- AND RHO-KINASE INHIBITORS GLAXO GROUP LIMITED (GB) 2003-10-02 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 (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-20240158385-A1 NOVEL COMPOUNDS KCNK3, KCNA4, KCNK13 ALDH1A1 2143/4885HPGD 1524/4885SMN1; SMN2 1585/4885
US-20050153978-A1 Medicaments GRK1, ROCK1, GRK7 ALDH1A1 4488/4885HPGD 3802/4885SMN1; SMN2 1495/4885

“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.