SCHEMBL22152000

SCHEMBL22152000

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

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDGFRA P16234 1/20 0.34
CDK5 Q00535 1/20 0.34
TYRO3 Q06418 1/20 0.34
CYP11B2 P19099 2/20 0.34
ESR1 P03372 1/20 0.34
SLC2A1 P11166 2/20 0.34
SLC2A3 P11169 2/20 0.34
EGLN1 Q9GZT9 2/20 0.33
MAPT P10636 1/20 0.32
CYP19A1 P11511 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP11B1 P15538 1/20 0.32
CCR1 P32246 1/20 0.32
RORC P51449 1/20 0.31
LMNA P02545 1/20 0.31
SSTR4 P31391 1/20 0.31
NT5E P21589 1/20 0.31
AKR1A1 P14550 1/20 0.31
AKR1B1 P15121 1/20 0.31
KMO O15229 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
SCHEMBL22128428 0.84 PDGFRA (0.32) PDGFRACDK5TYRO3ESR1
SCHEMBL23994535 0.84 ESR1 (0.44) PDGFRACDK5TYRO3CYP11B2ESR1
SCHEMBL30224393 0.84 ESR1 (0.44) PDGFRACDK5TYRO3CYP11B2ESR1
SCHEMBL30224397 0.84 ESR1 (0.44) PDGFRACDK5TYRO3CYP11B2ESR1
SCHEMBL22156319 0.82 SLC22A12 (0.37) PDGFRACDK5TYRO3ESR1EGLN1
SCHEMBL22122347 0.82 PDGFRA (0.35) PDGFRACDK5TYRO3ESR1EGLN1
SCHEMBL22151989 0.80 PDGFRA (0.34) PDGFRACDK5TYRO3CYP11B2EGLN1
SCHEMBL22151999 0.79 AR (0.35) PDGFRACDK5TYRO3EGLN1AR
SCHEMBL22156543 0.78 PDGFRA (0.33) PDGFRACDK5TYRO3
SCHEMBL22152002 0.78 SLC22A12 (0.38) PDGFRACDK5TYRO3CYP11B2

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-20200197391-A1 COMPOUNDS THAT PARTICIPATE IN COOPERATIVE BINDING AND USES THEREOF Revolution Medicines, Inc. 2020-06-25 US disclosed
WO-2020132597-A1 COMPOUNDS THAT PARTICIPATE IN COOPERATIVE BINDING AND USES THEREOF Revolution Medicines, Inc. (US) 2020-06-25 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-20200197391-A1 COMPOUNDS THAT PARTICIPATE IN COOPERATIVE BINDING AND USES THEREOF KRAS, NRAS, HRAS PDGFRA 2425/4885CDK5 367/4885TYRO3 2042/4885

“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.