Sugi Predict

Sugi Predict / Compounds / SCHEMBL8323127

SCHEMBL8323127

SCHEMBL8323127

CSC[C@H](Nc1ncnc2cc(C(=O)N3CC=CC3)c(Cl)cc12)c1nc2cc(Cl)ccc2[nH]1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.37
▸ LMNA P02545 3/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ FPR1 P21462 2/20 0.33
▸ MAPT P10636 2/20 0.32
▸ GAA P10253 1/20 0.32
▸ NPSR1 Q6W5P4 2/20 0.32
▸ MEN1 O00255 1/20 0.32
▸ ALOX12 P18054 1/20 0.32
▸ APOBEC3A P31941 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ APOBEC3G Q9HC16 1/20 0.32
▸ CDK1 P06493 1/20 0.32
▸ OPRM1 P35372 1/20 0.32
▸ OPRD1 P41143 1/20 0.32
▸ CTDSP1 Q9GZU7 1/20 0.32
▸ EGFR P00533 2/20 0.31
▸ ERBB2 P04626 2/20 0.31
▸ PRNP P04156 1/20 0.31
▸ TSHR P16473 1/20 0.31

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
SCHEMBL4141464 1.00 ALDH1A1 (0.37) ALDH1A1LMNASMN1; SMN2FPR1MAPT
SCHEMBL4141467 1.00 ALDH1A1 (0.37) ALDH1A1LMNASMN1; SMN2FPR1MAPT
SCHEMBL2992118 0.93 ALDH1A1 (0.44) ALDH1A1LMNASMN1; SMN2FPR1MAPT
SCHEMBL2992121 0.93 ALDH1A1 (0.44) ALDH1A1LMNASMN1; SMN2FPR1MAPT
SCHEMBL13772294 0.91 RPS6KB1 (0.33) ALDH1A1LMNACDK1OPRM1OPRD1
SCHEMBL8320265 0.91 RPS6KB1 (0.33) ALDH1A1LMNACDK1OPRM1OPRD1
SCHEMBL3000212 0.91 RPS6KB1 (0.33) ALDH1A1LMNACDK1OPRM1OPRD1
SCHEMBL3003700 0.91 EGFR (0.35) ALDH1A1LMNAFPR1KMT2ACDK1
SCHEMBL2986556 0.90 ITGAV (0.35) ALDH1A1LMNAOPRM1OPRD1CTDSP1
SCHEMBL2986554 0.90 ITGAV (0.35) ALDH1A1LMNAOPRM1OPRD1CTDSP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090181958-A1 SUBSTITUTED NITROGEN-CONTAINING HETEROBICYCLES, THE PREPARATION THEREOF AND THEIR USE AS PHARMACEUTICAL COMPOSITIONS BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2009-07-16 — — US disclosed
US-20090181958-A1 SUBSTITUTED NITROGEN-CONTAINING HETEROBICYCLES, THE PREPARATION THEREOF AND THEIR USE AS PHARMACEUTICAL COMPOSITIONS BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2009-07-16 — — US disclosed
US-7429597-B2 Substituted nitrogen-containing heterobicycles, the preparation thereof and their use as pharmaceutical compositions BOEHRINGER INGELHEIM PHARMA GMBH & CO., KG (DE) 2008-09-30 — — US disclosed
US-7429597-B2 Substituted nitrogen-containing heterobicycles, the preparation thereof and their use as pharmaceutical compositions BOEHRINGER INGELHEIM PHARMA GMBH & CO., KG (DE) 2008-09-30 — — US disclosed
WO-2004058743-A1 NOVEL SUBSTITUTED NITROGEN-CONTAINING HETEROBICYCLES AND USE THEREOF AS FACTOR XA INHIBITORS BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2004-07-15 — — 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-20090181958-A1 SUBSTITUTED NITROGEN-CONTAINING HETEROBICYCLES, THE PREPARATION THEREOF AND THEIR USE AS PHARMACEUTICAL COMPOSITIONS F12, F11, F2 ALDH1A1 3364/4885LMNA 323/4885SMN1; SMN2 1792/4885

“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.