SCHEMBL20002212

SCHEMBL20002212

c1cc2[nH]ncc2c2c1CCCCCCC2

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 9/20 0.47
FLT3 P36888 9/20 0.47
CCNA1 P78396 9/20 0.47
STING1 Q86WV6 1/20 0.45
KDR P35968 1/20 0.42
MAPK10 P53779 1/20 0.42
RIPK1 Q13546 1/20 0.42
PBK Q96KB5 1/20 0.41
ESR1 P03372 3/20 0.40
ESR2 Q92731 3/20 0.40
KIF11 P52732 1/20 0.39
HASPIN Q8TF76 1/20 0.39
DRD4 P21917 1/20 0.38
NOS1 P29475 3/20 0.38
AXL P30530 1/20 0.38

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
SCHEMBL24179543 0.78 ESR1 (0.49) CDK2FLT3CCNA1ESR1ESR2
SCHEMBL21219144 0.76 ESR1 (0.41) CDK2FLT3CCNA1ESR1ESR2
SCHEMBL30970847 0.74 FLT3 (0.54) CDK2FLT3CCNA1STING1PBK
SCHEMBL22478076 0.74 FLT3 (0.54) CDK2FLT3CCNA1STING1PBK
SCHEMBL2940438 0.72 NOS1 (0.36) CDK2FLT3CCNA1STING1KDR
SCHEMBL29424626 0.72 MAOA (0.43) ESR2DRD4
SCHEMBL26130378 0.71 HTR2A (0.42) CDK2FLT3CCNA1STING1MAPK10
SCHEMBL24459190 0.71 ESR2 (0.46) ESR1ESR2
SCHEMBL19118540 0.71 IDO1 (0.40) CDK2FLT3CCNA1STING1KDR
SCHEMBL12321248 0.71 NOS1 (0.56) CDK2CCNA1NOS1AXL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180099939-A1 COMPOUNDS AND METHODS FOR IDO AND TDO MODULATION AND INDICATIONS THEREFOR PLEXXIKON INC. 2018-04-12 US disclosed
WO-2018057973-A1 COMPOUNDS AND METHODS FOR IDO AND TDO MODULATION, AND INDICATIONS THEREFOR PLEXXIKON INC. (US) 2018-03-29 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 (1 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-20180099939-A1 COMPOUNDS AND METHODS FOR IDO AND TDO MODULATION AND INDICATIONS THEREFOR IDO1, TDO2, IDO2 CDK2 425/4885FLT3 910/4885CCNA1 476/4885

“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.