SCHEMBL22152002

SCHEMBL22152002

CC(C)(CO)Cn1nc(C2CC2)c2ccc(Br)cc21

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SLC22A12 Q96S37 1/20 0.38
CYP11B2 P19099 1/20 0.36
GRM4 Q14833 3/20 0.34
CNR1 P21554 2/20 0.33
PDGFRA P16234 1/20 0.33
CDK5 Q00535 1/20 0.33
TYRO3 Q06418 1/20 0.33
KCNH2 Q12809 2/20 0.32
HTR4 Q13639 1/20 0.31
HTR7 P34969 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
SCHEMBL30224827 0.82 ESR1 (0.40) SLC22A12CYP11B2GRM4CNR1PDGFRA
SCHEMBL25005491 0.82 ESR1 (0.40) SLC22A12CYP11B2GRM4CNR1PDGFRA
SCHEMBL22122347 0.80 PDGFRA (0.35) PDGFRACDK5TYRO3
SCHEMBL22156319 0.80 SLC22A12 (0.37) SLC22A12PDGFRACDK5TYRO3
SCHEMBL22151989 0.78 PDGFRA (0.34) CYP11B2CNR1PDGFRACDK5TYRO3
SCHEMBL22152000 0.78 PDGFRA (0.34) CYP11B2PDGFRACDK5TYRO3
SCHEMBL22151999 0.77 AR (0.35) SLC22A12CNR1PDGFRACDK5TYRO3
SCHEMBL22156543 0.76 PDGFRA (0.33) PDGFRACDK5TYRO3
SCHEMBL22128428 0.75 PDGFRA (0.32) PDGFRACDK5TYRO3
SCHEMBL22122332 0.74 PDGFRA (0.32) PDGFRACDK5TYRO3

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
WO-2020132597-A1 COMPOUNDS THAT PARTICIPATE IN COOPERATIVE BINDING AND USES THEREOF Revolution Medicines, Inc. (US) 2020-06-25 WO disclosed
US-20200197391-A1 COMPOUNDS THAT PARTICIPATE IN COOPERATIVE BINDING AND USES THEREOF Revolution Medicines, Inc. 2020-06-25 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-20200197391-A1 COMPOUNDS THAT PARTICIPATE IN COOPERATIVE BINDING AND USES THEREOF KRAS, NRAS, HRAS SLC22A12 4336/4885CYP11B2 3623/4885GRM4 4327/4885

“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.