SCHEMBL10104493

SCHEMBL10104493

Cc1cc(N2CC[C@@H](N(C)C)C2)c(C)c(C(F)(F)F)c1

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SOS1 Q07889 5/20 0.39
WDR5 P61964 2/20 0.37
HRH4 Q9H3N8 2/20 0.37
HRH3 Q9Y5N1 2/20 0.37
HSD11B1 P28845 1/20 0.36
PIM1 P11309 1/20 0.36
PIM3 Q86V86 1/20 0.36
PIM2 Q9P1W9 1/20 0.36
EML4 Q9HC35 1/20 0.35
ALK Q9UM73 1/20 0.35
MAPK8 P45983 1/20 0.34
MAPK10 P53779 1/20 0.34
BTK Q06187 1/20 0.34
MRGPRX2 Q96LB1 1/20 0.34
NOTUM Q6P988 1/20 0.34
PTGES O14684 1/20 0.33
CYP11B1 P15538 1/20 0.33
CYP11B2 P19099 1/20 0.33
MCHR1 Q99705 1/20 0.33

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
SCHEMBL10104492 1.00 SOS1 (0.39) SOS1WDR5HRH4HRH3HSD11B1
SCHEMBL10104379 0.92 SOS1 (0.37) SOS1WDR5HRH4HRH3HSD11B1
SCHEMBL10104397 0.88 NOTUM (0.39) SOS1WDR5HRH4HRH3HSD11B1
SCHEMBL23251384 0.80 HRH4 (0.41) HRH4HRH3
SCHEMBL10104334 0.79 SOS1 (0.37) SOS1WDR5HSD11B1NOTUM
SCHEMBL20374410 0.74 HSD11B1 (0.43) SOS1HSD11B1EML4ALKNOTUM
SCHEMBL10104507 0.74 NOTUM (0.38) NOTUM
SCHEMBL17135166 0.74 EML4 (0.47) SOS1WDR5HRH4HRH3HSD11B1
SCHEMBL274575 0.74 EML4 (0.47) SOS1WDR5HRH4HRH3HSD11B1
SCHEMBL10104267 0.73 FFAR4 (0.46) SOS1HRH4HRH3MAPK8MAPK10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8778929-B2 Substituted heteroaryl inhibitors of B-RAF BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-07-15 US disclosed
US-8653087-B2 Pyrido [5, 4-D] pyrimidines as cell proliferation inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-02-18 US disclosed
US-20120094975-A1 PYRIDO [5, 4-D] PYRIMIDINES AS CELL PROLIFERATION INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-04-19 US disclosed
US-20110312939-A1 NEW CHEMICAL COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-12-22 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 (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-20110312939-A1 NEW CHEMICAL COMPOUNDS CCNA1, CCNT1, MKI67 SOS1 943/4885WDR5 4258/4885HRH4 719/4885
US-20120094975-A1 PYRIDO [5, 4-D] PYRIMIDINES AS CELL PROLIFERATION INHIBITORS CCNT1, CCNA1, CCND1 SOS1 1760/4885WDR5 2344/4885HRH4 600/4885

“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.