SCHEMBL11907985

SCHEMBL11907985

COc1cnc2[nH]c3cnc(-c4cnn(C)c4)cc3c2c1-c1ccc(C(=O)NC[C@H]2NC[C@H](O)[C@@H]2O)cc1

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 1/20 0.39
ACHE P22303 1/20 0.39
IGF1R P08069 8/20 0.36
GLA P06280 1/20 0.36
TTK P33981 2/20 0.35
CCNA2 P20248 1/20 0.35
CDK2 P24941 1/20 0.35
MAP4K1 Q92918 2/20 0.34
MAPT P10636 3/20 0.34
NTRK1 P04629 1/20 0.34
KIT P10721 1/20 0.34
FLT3 P36888 1/20 0.34
GSK3B P49841 1/20 0.33
DYRK1A Q13627 1/20 0.33
IKBKB O14920 1/20 0.33
PIM1 P11309 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
SCHEMBL3725168 0.85 SUV39H2 (0.46) CHEK1ACHEIGF1RCDK2IKBKB
SCHEMBL3729496 0.81 GSK3B (0.40) CHEK1ACHETTKCCNA2CDK2
SCHEMBL3727024 0.81 GSK3B (0.40) CHEK1ACHETTKCCNA2CDK2
SCHEMBL3725345 0.81 USP30 (0.38) CHEK1ACHEIGF1RTTKCCNA2
SCHEMBL3727829 0.81 GSK3B (0.40) CHEK1ACHETTKCCNA2CDK2
SCHEMBL473715 0.81 GSK3B (0.40) CHEK1ACHETTKCCNA2CDK2
SCHEMBL11908966 0.81 CHRM1 (0.45) CHEK1ACHEMAPTGSK3BDYRK1A
SCHEMBL11909192 0.78 CHEK1 (0.40) CHEK1ACHEIGF1RTTKCCNA2
SCHEMBL11908837 0.78 SUV39H2 (0.44) IKBKBPIM1
SCHEMBL11908405 0.78 MARK3 (0.40) CHEK1ACHEIGF1RTTKCCNA2

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-20120208809-A1 9H-PYRROLO[2,3-B: 5,4-C'] DIPYRIDINE AZACARBOLINE DERIVATIVES, PREPARATION THEREOF, AND THERAPEUTIC USE THEREOF SANOFI (FR) 2012-08-16 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-20120208809-A1 9H-PYRROLO[2,3-B: 5,4-C'] DIPYRIDINE AZACARBOLINE DERIVATIVES, PREPARATION THEREOF, AND THERAPEUTIC USE THEREOF NPR3, CCNH, CBR3 CHEK1 1152/4885ACHE 4455/4885IGF1R 1077/4885

“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.