SCHEMBL2750812

SCHEMBL2750812

N#Cc1ccc(C#N)c(-n2c[c]cn2)c1

nearest known ligand 0.33

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.32
ALDH1A1 P00352 1/20 0.32
GLA P06280 1/20 0.32
GAA P10253 1/20 0.32
IMPDH2 P12268 1/20 0.32
IMPDH1 P20839 1/20 0.32
EGLN2 Q96KS0 9/20 0.31
HTR2A P28223 1/20 0.31
HTR2C P28335 1/20 0.31
HTR2B P41595 1/20 0.31
CASP3 P42574 1/20 0.31
CYP19A1 P11511 2/20 0.31
DRD2 P14416 2/20 0.30
DRD3 P35462 2/20 0.30
PNMT P11086 1/20 0.30

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
SCHEMBL2753780 0.87 CASP3 (0.34) KDM4EALDH1A1GLAGAAIMPDH2
SCHEMBL21808491 0.79 EGLN2 (0.41) ALDH1A1EGLN2CASP3
SCHEMBL19212320 0.77 KDM4E (0.42) KDM4EALDH1A1CYP19A1DRD2
SCHEMBL2750671 0.74 KDM4E (0.33) KDM4EALDH1A1GLAGAAIMPDH2
SCHEMBL7229570 0.73 NOTUM (0.44) KDM4EALDH1A1EGLN2CYP19A1
SCHEMBL2754271 0.72 ALDH1A1 (0.44) ALDH1A1
SCHEMBL2753190 0.71 KDM4E (0.33) KDM4EALDH1A1IMPDH2IMPDH1CASP3
SCHEMBL2752302 0.70 SMN1; SMN2 (0.48) KDM4EALDH1A1GAA
SCHEMBL2750486 0.70 LRRK2 (0.35) KDM4EALDH1A1EGLN2CYP19A1
SCHEMBL3142693 0.70 EGLN2 (0.32) EGLN2

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 KDM4E 1607/4885ALDH1A1 1588/4885GLA 3093/4885
US-20100077512-A1 Pyridazin-4-ylmethyl-sulfonamides used as Fungicides and Against Arthropods PIR, PRDX4, PRDX2 KDM4E 242/4885ALDH1A1 2607/4885GLA 1806/4885

“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.