SCHEMBL473699

SCHEMBL473699

CC(C)N(CCNC(=O)c1ccc(-c2c(F)cnc3[nH]c4cnc(-c5cccnc5)cc4c23)cc1)C(C)C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIM1 P11309 4/20 0.41
ALDH1A1 P00352 1/20 0.41
CCNT1 O60563 1/20 0.40
CCNA2 P20248 1/20 0.40
CDK2 P24941 1/20 0.40
CDK9 P50750 1/20 0.40
CCNA1 P78396 1/20 0.40
DYRK1A Q13627 4/20 0.40
WNT1 P04628 2/20 0.40
CLK2 P49760 1/20 0.38
CLK3 P49761 1/20 0.38
CHEK1 O14757 1/20 0.38
ACHE P22303 1/20 0.38
PIM3 Q86V86 1/20 0.38
PIM2 Q9P1W9 1/20 0.38
BRAF P15056 1/20 0.38
CAMK2D Q13557 1/20 0.37
MCHR1 Q99705 1/20 0.37
CDC7 O00311 1/20 0.36
CDK19 Q9BWU1 1/20 0.36

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
SCHEMBL473781 0.92 WNT1 (0.49) PIM1CCNT1CDK2CDK9DYRK1A
SCHEMBL473667 0.89 NR4A1 (0.46) PIM1ALDH1A1DYRK1AWNT1
SCHEMBL473778 0.89 PIM1 (0.43) PIM1DYRK1ACHEK1ACHEPIM3
SCHEMBL3723196 0.89 PIM1 (0.43) PIM1DYRK1ACHEK1ACHEPIM3
SCHEMBL11908678 0.88 PIM1 (0.52) PIM1DYRK1AWNT1CHEK1ACHE
SCHEMBL3723594 0.88 NR4A1 (0.44) PIM1ALDH1A1DYRK1AWNT1CDC7
SCHEMBL11908243 0.88 BRAF (0.48) PIM1ALDH1A1DYRK1AWNT1CLK2
SCHEMBL473773 0.87 PIM1 (0.41) PIM1ALDH1A1DYRK1AWNT1CHEK1
SCHEMBL473657 0.87 PIM1 (0.42) PIM1DYRK1AWNT1CLK2CLK3
SCHEMBL11907607 0.86 TP53 (0.47) PIM1ALDH1A1DYRK1AWNT1CLK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2411389-A2 9H-PYRROLO[2,3-B: 5,4-C']DIPYRIDINE AZACARBOLINE DERIVATIVES, PREPARATION THEREOF, AND THERAPEUTIC USE THEREOF SANOFI (FR) 2012-02-01 EP claimed
WO-2010109084-A2 9H-PYRROLO[2,3-B: 5,4-C'] DIPYRIDINE AZACARBOLINE DERIVATIVES, PREPARATION THEREOF, AND THERAPEUTIC USE THEREOF SANOFI-AVENTIS (FR) 2010-09-30 WO claimed
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
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
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
EP-2411389-A2 9H-PYRROLO[2,3-B: 5,4-C']DIPYRIDINE AZACARBOLINE DERIVATIVES, PREPARATION THEREOF, AND THERAPEUTIC USE THEREOF SANOFI (FR) 2012-02-01 EP disclosed
WO-2010109084-A2 9H-PYRROLO[2,3-B: 5,4-C'] DIPYRIDINE AZACARBOLINE DERIVATIVES, PREPARATION THEREOF, AND THERAPEUTIC USE THEREOF SANOFI-AVENTIS (FR) 2010-09-30 WO disclosed
WO-2010109084-A2 9H-PYRROLO[2,3-B: 5,4-C'] DIPYRIDINE AZACARBOLINE DERIVATIVES, PREPARATION THEREOF, AND THERAPEUTIC USE THEREOF SANOFI-AVENTIS (FR) 2010-09-30 WO 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 3366/4885ALDH1A1 1641/4885CCNT1 133/4885

“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.