SCHEMBL2752036

SCHEMBL2752036

N#Cc1cccc(-n2cc[c]n2)c1C#N

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.46
HIF1A Q16665 1/20 0.46
ALDH1A1 P00352 3/20 0.40
MAPT P10636 1/20 0.40
CYP1A2 P05177 3/20 0.37
CYP2C19 P33261 3/20 0.37
CYP3A4 P08684 2/20 0.37
CYP2D6 P10635 2/20 0.37
CYP2C9 P11712 2/20 0.37
GAA P10253 1/20 0.37
PGR P06401 1/20 0.35
AR P10275 1/20 0.35
KDM4E B2RXH2 4/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
NOTUM Q6P988 1/20 0.31

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
SCHEMBL2751901 0.80 ALDH1A1 (0.44) SMN1; SMN2HIF1AALDH1A1MAPTKDM4E
SCHEMBL2752302 0.74 SMN1; SMN2 (0.48) SMN1; SMN2HIF1AALDH1A1MAPTCYP1A2
SCHEMBL2751097 0.72 ALDH1A1 (0.52) SMN1; SMN2HIF1AALDH1A1MAPTCYP1A2
SCHEMBL2750671 0.72 KDM4E (0.33) ALDH1A1GAAKDM4E
SCHEMBL2753076 0.72 KDM4E (0.34) ALDH1A1GAAKDM4E
SCHEMBL2753507 0.72 SMN1; SMN2 (0.35) SMN1; SMN2HIF1AALDH1A1MAPTCYP2C9
SCHEMBL2753937 0.68 ALDH1A1 (0.42) SMN1; SMN2ALDH1A1ARKDM4E
SCHEMBL1969402 0.67 NOTUM (0.43) NOTUM
SCHEMBL2750817 0.67 KDM4E (0.34) ALDH1A1KDM4E
SCHEMBL645262 0.66 TSHR (0.48) SMN1; SMN2HIF1AALDH1A1MAPTCYP1A2

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 SMN1; SMN2 768/4885HIF1A 4066/4885ALDH1A1 1588/4885
US-20100077512-A1 Pyridazin-4-ylmethyl-sulfonamides used as Fungicides and Against Arthropods PIR, PRDX4, PRDX2 SMN1; SMN2 824/4885HIF1A 4716/4885ALDH1A1 2607/4885

“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.