SCHEMBL2754271

SCHEMBL2754271

N#Cc1ccc(-n2c[c]cn2)cc1C#N

nearest known ligand 0.44

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.44
LMNA P02545 1/20 0.44
HPGD P15428 1/20 0.44
MAPK1 P28482 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
XDH P47989 1/20 0.36

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
SCHEMBL21808286 0.85 TRPV4 (0.43)
SCHEMBL21815522 0.85 EGLN2 (0.41) ALDH1A1LMNAHPGDMAPK1SMN1; SMN2
SCHEMBL7229570 0.76 NOTUM (0.44) ALDH1A1XDH
SCHEMBL2753937 0.72 ALDH1A1 (0.42) ALDH1A1LMNAHPGDMAPK1SMN1; SMN2
SCHEMBL2750812 0.72 KDM4E (0.32) ALDH1A1
SCHEMBL2753286 0.72 DRD2 (0.33)
SCHEMBL2751136 0.70 NOTUM (0.30)
SCHEMBL2751641 0.70 NOTUM (0.49) ALDH1A1LMNASMN1; SMN2
SCHEMBL2751393 0.70 NOTUM (0.42) ALDH1A1LMNAHPGDSMN1; SMN2
SCHEMBL2752143 0.70 RXRA (0.36)

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-8178540-B2 Pyrimidylmethyl-sulfonamide compounds BASF SE (DE) 2012-05-15 US disclosed
US-20100077512-A1 Pyridazin-4-ylmethyl-sulfonamides used as Fungicides and Against Arthropods BASF SE (DE) 2010-03-25 US disclosed
US-20100069243-A1 Pyrimidylmethyl-Sulfonamide Compounds BASF SE (DE) 2010-03-18 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-20100069243-A1 Pyrimidylmethyl-Sulfonamide Compounds TPMT, NISCH, PPA1 ALDH1A1 1588/4885LMNA 4514/4885HPGD 1849/4885
US-20100077512-A1 Pyridazin-4-ylmethyl-sulfonamides used as Fungicides and Against Arthropods PIR, PRDX4, PRDX2 ALDH1A1 2607/4885LMNA 3316/4885HPGD 3485/4885

“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.