Sugi Predict

Sugi Predict / Compounds / SCHEMBL473742

SCHEMBL473742

SCHEMBL473742

Cc1ccc(S(=O)(=O)n2c3cnc(-c4cnn(C)c4)cc3c3c(I)c(F)cnc32)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PIM1 P11309 8/20 0.42
▸ MTOR P42345 2/20 0.39
▸ CCNB2 O95067 3/20 0.35
▸ CDK1 P06493 3/20 0.35
▸ CCNB1 P14635 3/20 0.35
▸ CDK5 Q00535 3/20 0.35
▸ CDK5R1 Q15078 3/20 0.35
▸ CCNB3 Q8WWL7 3/20 0.35
▸ CCNE2 O96020 3/20 0.35
▸ CCNE1 P24864 3/20 0.35
▸ CDK2 P24941 3/20 0.35
▸ CCNT1 O60563 2/20 0.35
▸ CDK9 P50750 2/20 0.35
▸ KIT P10721 2/20 0.34
▸ PIM3 Q86V86 1/20 0.33
▸ PIM2 Q9P1W9 1/20 0.33
▸ CREBBP Q92793 1/20 0.33
▸ LMNA P02545 1/20 0.32
▸ ALOX5AP P20292 1/20 0.32
▸ FEN1 P39748 1/20 0.32

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
SCHEMBL473708 0.84 CYP2A6 (0.40) PIM1PIM3PIM2
SCHEMBL473779 0.84 PIM1 (0.41) PIM1MTORKITPIM3PIM2
SCHEMBL473729 0.81 LMNA (0.36) LMNA
SCHEMBL1561228 0.80 LMNA (0.36) PIM1PIM2LMNA
SCHEMBL2218828 0.75 PIM1 (0.41) PIM1PIM3PIM2
SCHEMBL2220367 0.73 CYP2A6 (0.40) PIM1PIM3PIM2MAPT
SCHEMBL2218482 0.72 CYP2A6 (0.38) PIM1PIM3PIM2
SCHEMBL2216914 0.72 CYP2A6 (0.38) PIM1PIM3PIM2
SCHEMBL1560920 0.71 CYP11B1 (0.38) PIM1PIM3PIM2FEN1
SCHEMBL473669 0.69 PTPN11 (0.39) 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 6 patents. 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
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 3366/4885MTOR 3101/4885CCNB2 175/4885

“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.