Sugi Predict

Sugi Predict / Compounds / SCHEMBL12376652

SCHEMBL12376652

SCHEMBL12376652

CC(C)(C)NC(=O)c1cncn(-c2ccc(F)cc2)c1=O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 3/20 0.42
▸ MAPT P10636 1/20 0.42
▸ THRB P10828 1/20 0.42
▸ SMN1; SMN2 Q16637 2/20 0.40
▸ MEN1 O00255 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ DGAT2 Q96PD7 1/20 0.38
▸ NR3C1 P04150 1/20 0.38
▸ RIPK3 Q9Y572 3/20 0.37
▸ MET P08581 2/20 0.37
▸ RIPK2 O43353 1/20 0.37
▸ KDM4E B2RXH2 3/20 0.37
▸ ALDH1A1 P00352 2/20 0.37
▸ ALOX5AP P20292 1/20 0.37
▸ FEN1 P39748 1/20 0.37
▸ HSP90AA1 P07900 1/20 0.37
▸ HSP90AB1 P08238 1/20 0.37
▸ POLB P06746 2/20 0.37
▸ APEX1 P27695 1/20 0.37
▸ CCR1 P32246 1/20 0.37

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
SCHEMBL12376646 0.87 RIPK1 (0.44) LMNAMAPTSMN1; SMN2MEN1KMT2A
SCHEMBL13906071 0.82 HSP90AA1 (0.42) LMNAMEN1KMT2ANR3C1RIPK3
SCHEMBL12561619 0.82 TRPC3 (0.43) MEN1KMT2ANR3C1RIPK3MET
SCHEMBL12376654 0.79 MET (0.50) MEN1KMT2ARIPK3METRIPK2
SCHEMBL14411706 0.78 TSHR (0.45) LMNAMAPTSMN1; SMN2MEN1KMT2A
SCHEMBL29812169 0.78 TYK2 (0.41) LMNAMEN1KMT2AKDM4EHSP90AA1
SCHEMBL12561625 0.73 AXL (0.49) NR3C1METAXL
SCHEMBL12376662 0.72 GRM1 (0.41) LMNAMAPTTHRBSMN1; SMN2DGAT2
SCHEMBL12376661 0.71 RIPK1 (0.44) LMNAMAPTTHRBSMN1; SMN2MEN1
SCHEMBL19625786 0.69 LMNA (0.50) LMNAMEN1KMT2A

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-8003662-B2 Heterobicyclic thiophene compounds and methods of use ARRAY BIOPHARMA, INC. (US) 2011-08-23 — — US disclosed
US-20100256356-A1 HETEROBICYCLIC PYRAZOLE COMPOUNDS AND METHODS OF USE ARRAY BIOPHARMA INC. (US) 2010-10-07 — — US disclosed
US-7723330-B2 Heterobicyclic pyrazole compounds and methods of use ARRAY BIOPHARMA INC. (US) 2010-05-25 — — US disclosed
US-20070238726-A1 Heterobicyclic pyrazole compounds and methods of use GENENTECH, INC. 2007-10-11 — — US disclosed
US-20070197537-A1 Heterobicyclic thiophene compounds and methods of use ARRAY BIOPHARMA, INC. 2007-08-23 — — US 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 (3 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-20070197537-A1 Heterobicyclic thiophene compounds and methods of use ERBB2, LCK, SRC LMNA 4174/4885MAPT 4444/4885THRB 125/4885
US-20100256356-A1 HETEROBICYCLIC PYRAZOLE COMPOUNDS AND METHODS OF USE ROR1, CYP11B1, CYP11B2 LMNA 1962/4885MAPT 538/4885THRB 16/4885
US-20070238726-A1 Heterobicyclic pyrazole compounds and methods of use ROR1, CYP11B1, CYP11B2 LMNA 1962/4885MAPT 538/4885THRB 16/4885

“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.