SCHEMBL22320205

SCHEMBL22320205

C[CH]C(C)n1ccc2cc(C#N)ccc21

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CDC7 O00311 8/20 0.40
ENPP3 O14638 1/20 0.38
P2RX7 Q99572 1/20 0.36
PRMT5 O14744 1/20 0.36
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
GLA P06280 1/20 0.35
GAA P10253 1/20 0.35
NPY5R Q15761 1/20 0.34
HTR6 P50406 2/20 0.33
FFAR4 Q5NUL3 1/20 0.33
CDK2 P24941 4/20 0.33
IMPDH2 P12268 1/20 0.33
IMPDH1 P20839 1/20 0.33
CYP2A6 P11509 1/20 0.33
MAP3K14 Q99558 1/20 0.32
BRD1 O95696 1/20 0.32
BRPF1 P55201 1/20 0.32

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
SCHEMBL3709688 0.84 CDC7 (0.43) CDC7ENPP3P2RX7PRMT5KDM4E
SCHEMBL12803570 0.78 CDC7 (0.43) CDC7ENPP3P2RX7PRMT5KDM4E
SCHEMBL7367610 0.77 FFAR4 (0.41) CDC7ENPP3P2RX7PRMT5KDM4E
SCHEMBL22320203 0.76 HTR2A (0.49) CYP2A6
SCHEMBL20876045 0.76 HTR2A (0.49) PRMT5NPY5RCYP2A6
SCHEMBL20876078 0.76 HTR2C (0.49) KDM4EALDH1A1CYP2A6
SCHEMBL7507457 0.74 CDC7 (0.39) CDC7ENPP3P2RX7PRMT5KDM4E
SCHEMBL30940225 0.73 PRMT5 (0.40) CDC7ENPP3P2RX7PRMT5KDM4E
SCHEMBL1779268 0.72 PRKCI (0.53) CDC7ENPP3P2RX7KDM4EALDH1A1
SCHEMBL29499059 0.72 PRKCI (0.53) CDC7ENPP3P2RX7KDM4EALDH1A1

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-11629138-B2 Microbiocidal picolinamide derivatives SYNGENTA PARTICIPATIONS AG (CH) 2023-04-18 US disclosed
EP-3692029-B1 MICROBIOCIDAL PICOLINAMIDE DERIVATIVES SYNGENTA PARTICIPATIONS AG (CH) 2023-04-12 EP disclosed
US-20200255400-A1 Microbiocidal Picolinamide Derivatives SYNGENTA PARTICIPATIONS AG (CH) 2020-08-13 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-20200255400-A1 Microbiocidal Picolinamide Derivatives PRF1, CASP1, FPR1 CDC7 4375/4885ENPP3 1271/4885P2RX7 224/4885
US-11629138-B2 Microbiocidal picolinamide derivatives PRF1, CASP1, FPR1 CDC7 4375/4885ENPP3 1271/4885P2RX7 224/4885

“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.