SCHEMBL11929451

SCHEMBL11929451

Cc1cnc2[nH]c3cnc(-c4cccnc4)cc3c2c1

nearest known ligand 0.58

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PIM1 P11309 14/20 0.58
PIM2 Q9P1W9 5/20 0.57
PIM3 Q86V86 4/20 0.57
CHEK1 O14757 2/20 0.56
ACHE P22303 1/20 0.56
CYP2A6 P11509 2/20 0.51
CYP3A4 P08684 1/20 0.51
CLK2 P49760 2/20 0.49
CLK3 P49761 2/20 0.49
DYRK1A Q13627 2/20 0.49

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
SCHEMBL1561263 0.86 CHEK1 (0.60) PIM1PIM2PIM3CHEK1ACHE
SCHEMBL473761 0.85 PIM1 (0.61) PIM1PIM2PIM3CHEK1ACHE
SCHEMBL473697 0.85 CHEK1 (0.56) PIM1PIM2PIM3CHEK1ACHE
SCHEMBL12512644 0.85 CHEK1 (0.56) PIM1PIM2PIM3CHEK1ACHE
SCHEMBL473752 0.85 CHEK1 (0.56) PIM1PIM2PIM3CHEK1ACHE
SCHEMBL1560926 0.85 CHEK1 (0.56) PIM1PIM2PIM3CHEK1ACHE
SCHEMBL1560543 0.85 CHEK1 (0.56) PIM1PIM2PIM3CHEK1ACHE
SCHEMBL1561133 0.84 CHEK1 (0.53) PIM1PIM2PIM3CHEK1ACHE
SCHEMBL1561366 0.82 CHEK1 (0.54) PIM1PIM2PIM3CHEK1ACHE
SCHEMBL1560890 0.82 CHEK1 (0.52) PIM1PIM2PIM3CHEK1ACHE

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 3366/4885PIM2 2902/4885PIM3 1252/4885

“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.