SCHEMBL11907618

SCHEMBL11907618

CCN[C@H]1CCC[C@@H]1NC(=O)c1ccc(-c2c(OCCOC)cnc3[nH]c4cnc(-c5cnn(CC)c5)cc4c23)cc1

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PIM1 P11309 17/20 0.37
PRKAB2 O43741 1/20 0.34
ABL1 P00519 1/20 0.34
CSF1R P07333 1/20 0.34
LYN P07948 1/20 0.34
TGFBR1 P36897 1/20 0.34
TGFBR2 P37173 1/20 0.34
PRKAG1 P54619 1/20 0.34
SIK1 P57059 1/20 0.34
PRKAA1 Q13131 1/20 0.34
SIK2 Q9H0K1 1/20 0.34
SIK3 Q9Y2K2 1/20 0.34
TACR2 P21452 1/20 0.33
CNR1 P21554 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
SCHEMBL11909192 0.86 CHEK1 (0.40)
SCHEMBL11907769 0.84 MERTK (0.39) PIM1ABL1CSF1RPRKAG1PRKAA1
SCHEMBL11909678 0.82 CHEK1 (0.41)
SCHEMBL11929499 0.80 CHRM1 (0.43) PIM1
SCHEMBL11907420 0.80 CHRM1 (0.43) PIM1
SCHEMBL11908837 0.77 SUV39H2 (0.44) PIM1
SCHEMBL11908966 0.76 CHRM1 (0.45) TACR2CNR1
SCHEMBL12597407 0.76 GSK3B (0.39) PIM1ABL1CSF1RPRKAG1PRKAA1
SCHEMBL11908405 0.76 MARK3 (0.40) PIM1ABL1CSF1RPRKAG1PRKAA1
SCHEMBL473693 0.75 CHEK1 (0.40) PIM1

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 3366/4885PRKAB2 3324/4885ABL1 987/4885

“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.