Sugi Predict

Sugi Predict / Compounds / SCHEMBL473779

SCHEMBL473779

SCHEMBL473779

Cc1ccc(S(=O)(=O)n2c3cnc(-c4cnn(C)c4)cc3c3cc(F)cnc32)cc1

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ PIM1 P11309 8/20 0.41
▸ MTOR P42345 2/20 0.41
▸ LMNA P02545 1/20 0.38
▸ HTR6 P50406 1/20 0.37
▸ PTGDR2 Q9Y5Y4 1/20 0.36
▸ KIT P10721 2/20 0.35
▸ PIM3 Q86V86 1/20 0.34
▸ PIM2 Q9P1W9 1/20 0.34
▸ LRRK2 Q5S007 1/20 0.34
▸ MAPT P10636 1/20 0.34
▸ CYP11B1 P15538 1/20 0.34
▸ CYP11B2 P19099 1/20 0.34
▸ FYN P06241 1/20 0.34
▸ CREBBP Q92793 1/20 0.34

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
SCHEMBL473742 0.84 PIM1 (0.42) PIM1MTORLMNAKITPIM3
SCHEMBL473783 0.83 CYP2A6 (0.42) PIM1LMNAPTGDR2PIM3PIM2
SCHEMBL473682 0.79 LMNA (0.43) LMNAHTR6PTGDR2
SCHEMBL1561185 0.79 LMNA (0.42) LMNAHTR6PTGDR2
SCHEMBL2215129 0.70 NPC1 (0.43) PIM1HTR6PTGDR2PIM3PIM2
SCHEMBL26969367 0.70 LMNA (0.43) LMNAHTR6PTGDR2MAPT
SCHEMBL1354815 0.70 CDK2 (0.39) MTORKITLRRK2
SCHEMBL2218828 0.69 PIM1 (0.41) PIM1PTGDR2PIM3PIM2CYP11B1
SCHEMBL20575787 0.68 LMNA (0.42) LMNAHTR6PTGDR2
SCHEMBL30321179 0.68 LMNA (0.42) LMNAHTR6PTGDR2

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 3101/4885LMNA 539/4885

“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.