Sugi Predict

Sugi Predict / Compounds / SCHEMBL473667

SCHEMBL473667

SCHEMBL473667

CN(C)CCCNC(=O)c1ccc(-c2c(F)cnc3[nH]c4cnc(-c5cccnc5)cc4c23)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NR4A1 P22736 2/20 0.46
▸ CHUK O15111 2/20 0.45
▸ INSR P06213 2/20 0.45
▸ MAPK8 P45983 2/20 0.45
▸ CAMKK2 Q96RR4 2/20 0.45
▸ KDM4E B2RXH2 2/20 0.44
▸ L3MBTL1 Q9Y468 2/20 0.44
▸ TET3 O43151 1/20 0.44
▸ TET2 Q6N021 1/20 0.44
▸ TET1 Q8NFU7 1/20 0.44
▸ WNT1 P04628 2/20 0.44
▸ DYRK1A Q13627 2/20 0.44
▸ FYN P06241 6/20 0.43
▸ PIM1 P11309 1/20 0.43
▸ ALDH1A1 P00352 1/20 0.42
▸ HPGD P15428 1/20 0.42
▸ HSD17B10 Q99714 1/20 0.42
▸ RAD52 P43351 2/20 0.42
▸ UBE2N P61088 1/20 0.42
▸ TLR9 Q9NR96 1/20 0.40

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
SCHEMBL3723594 0.98 NR4A1 (0.44) NR4A1CHUKINSRMAPK8CAMKK2
SCHEMBL473781 0.95 WNT1 (0.49) NR4A1CHUKINSRMAPK8CAMKK2
SCHEMBL11907607 0.90 TP53 (0.47) KDM4EWNT1DYRK1APIM1ALDH1A1
SCHEMBL473699 0.89 PIM1 (0.41) WNT1DYRK1APIM1ALDH1A1
SCHEMBL473778 0.89 PIM1 (0.43) DYRK1APIM1
SCHEMBL3723196 0.89 PIM1 (0.43) DYRK1APIM1
SCHEMBL11908678 0.88 PIM1 (0.52) WNT1DYRK1APIM1
SCHEMBL3721033 0.88 CCNE2 (0.39) NR4A1WNT1DYRK1APIM1ALDH1A1
SCHEMBL11908146 0.88 WNT1 (0.46) CHUKINSRMAPK8CAMKK2WNT1
SCHEMBL11908243 0.88 BRAF (0.48) WNT1DYRK1APIM1ALDH1A1HSD17B10

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 NR4A1 501/4885CHUK 2689/4885INSR 1475/4885

“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.