SCHEMBL23645920

SCHEMBL23645920

c1cc(N2CCOCC2)ccc1-c1n[nH]c2c1CNC2

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 1/20 0.48
SOS1 Q07889 1/20 0.45
ROCK1 Q13464 1/20 0.42
LRRK2 Q5S007 1/20 0.41
RAD51 Q06609 1/20 0.40
CCNE2 O96020 1/20 0.39
CDK4 P11802 1/20 0.39
CCND1 P24385 1/20 0.39
CCNE1 P24864 1/20 0.39
CDK2 P24941 1/20 0.39
ITK Q08881 1/20 0.39
ALK Q9UM73 1/20 0.39
FGFR1 P11362 3/20 0.38
FGFR2 P21802 1/20 0.38
KDM4E B2RXH2 1/20 0.38
NPC1 O15118 1/20 0.38
GAA P10253 1/20 0.38
MAPT P10636 1/20 0.38
RAB9A P51151 1/20 0.38
SMN1; SMN2 Q16637 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
SCHEMBL19358398 0.76 USP7 (0.64) CHEK1ROCK1LRRK2RAD51ITK
SCHEMBL12478207 0.74 HTR7 (0.60) SOS1KDM4EGAAMAPT
SCHEMBL26911852 0.71 LRRK2 (0.72) ROCK1LRRK2RAD51ITKFGFR1
SCHEMBL29548155 0.71 LRRK2 (0.72) ROCK1LRRK2RAD51ITKFGFR1
SCHEMBL23645926 0.71 SOS1 (0.52) CHEK1SOS1MAPT
SCHEMBL23645946 0.70 MAP4K1 (0.44) FGFR1GAAFLT1
SCHEMBL15312123 0.69 PDGFRB (0.64) CHEK1ROCK1CCNE2CDK4CCND1
SCHEMBL23645927 0.69 SOS1 (0.47) SOS1NPC1GAARAB9A
SCHEMBL19358219 0.68 TDO2 (0.42) FGFR1FGFR2
SCHEMBL14863718 0.68 LRRK2 (0.53) LRRK2ITKFGFR1FLT1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210221813-A1 4,6 DIHYDROPYRROLO [3,4-C] PYRAZOLE-5 (1H)-CARBONITRILE DERIVATES FOR TREATING CANCER MISSION THERAPEUTICS LIMITED (AE) 2021-07-22 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 (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-20210221813-A1 4,6 DIHYDROPYRROLO [3,4-C] PYRAZOLE-5 (1H)-CARBONITRILE DERIVATES FOR TREATING CANCER USP7, USP1, USP3 CHEK1 808/4885SOS1 3336/4885ROCK1 2627/4885

“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.