SCHEMBL11908044

SCHEMBL11908044

Cn1ncc(-c2cc3c(cn2)[nH]c2ncc(F)c(-c4ccc(C(=O)Cl)cc4)c23)c1Cl

nearest known ligand 0.37

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PIM1 P11309 1/20 0.37
PIM3 Q86V86 1/20 0.37
PIM2 Q9P1W9 1/20 0.37
PRMT5 O14744 2/20 0.33
WDR77 Q9BQA1 2/20 0.33
ADORA1 P30542 1/20 0.31
CHEK1 O14757 2/20 0.31
ACHE P22303 1/20 0.31
EGFR P00533 1/20 0.31
ALK Q9UM73 1/20 0.31
AKT1 P31749 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
SCHEMBL474870 0.86 PIM1 (0.38) PIM1PIM3PIM2PRMT5WDR77
SCHEMBL473806 0.86 CYP2D6 (0.40) PIM1PIM3PIM2CHEK1EGFR
SCHEMBL473750 0.85 PIM1 (0.40) PIM1PIM3PIM2
SCHEMBL11907789 0.84 CHEK1 (0.47) PIM1PIM3PIM2CHEK1ACHE
SCHEMBL11908668 0.79 CHEK1 (0.44) PIM1PIM3PIM2CHEK1ACHE
SCHEMBL11908677 0.75 CHEK1 (0.47) PIM1PIM3PIM2CHEK1ACHE
SCHEMBL473714 0.75 MKNK1 (0.46) PIM1PIM3PIM2CHEK1ACHE
SCHEMBL11908089 0.74 TTR (0.42)
SCHEMBL1560913 0.72 PIM1 (0.41) PIM1PIM3PIM2CHEK1ACHE
SCHEMBL473640 0.71 CHEK1 (0.43) PIM1CHEK1ACHE

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 PIM1 3366/4885PIM3 1252/4885PIM2 2902/4885

“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.