Sugi Predict

Sugi Predict / Compounds / SCHEMBL12376659

SCHEMBL12376659

SCHEMBL12376659

Cn1cccc(C(=O)NC(C)(C)C)c1=O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 2/20 0.48
▸ MEN1 O00255 1/20 0.48
▸ KMT2A Q03164 1/20 0.48
▸ MAP3K5 Q99683 1/20 0.42
▸ TP53 P04637 1/20 0.42
▸ MAOA P21397 1/20 0.42
▸ MAOB P27338 1/20 0.42
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ KDM4E B2RXH2 3/20 0.40
▸ POLB P06746 2/20 0.40
▸ RAB9A P51151 1/20 0.40
▸ BRD4 O60885 2/20 0.39
▸ BRD2 P25440 1/20 0.39
▸ BRD3 Q15059 1/20 0.39
▸ BRDT Q58F21 1/20 0.39
▸ APEX1 P27695 1/20 0.38
▸ AURKB Q96GD4 1/20 0.38
▸ ALDH1A1 P00352 3/20 0.37
▸ GAA P10253 2/20 0.37
▸ GLA P06280 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
SCHEMBL18596389 0.82 MAPT (0.47) MAPTMEN1KMT2ATP53MAOA
SCHEMBL12376649 0.78 MAPT (0.47) MAPTMEN1KMT2ATP53MAOA
SCHEMBL12669799 0.77 RAB9A (0.51) KMT2ATP53SMN1; SMN2POLBRAB9A
SCHEMBL13368482 0.77 BRD4 (0.61) KMT2AKDM4ERAB9ABRD4BRD2
SCHEMBL12848314 0.77 ALDH1A1 (0.43) MAPTMAP3K5MAOAMAOBSMN1; SMN2
SCHEMBL18596536 0.76 MAPT (0.42) MAPTMEN1KMT2ATP53MAOA
SCHEMBL6748722 0.76 MAPT (0.61) MAPTMEN1KMT2AMAOAMAOB
SCHEMBL12376654 0.75 MET (0.50) MEN1KMT2AAURKB
SCHEMBL13101588 0.75 BRD4 (0.73) MAPTMEN1KMT2ATP53SMN1; SMN2
SCHEMBL20312841 0.75 MAPT (0.45) MAPTMEN1KMT2AMAOAMAOB

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 7 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-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-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 MAPT 4444/4885MEN1 3149/4885KMT2A 4415/4885
US-20100256356-A1 HETEROBICYCLIC PYRAZOLE COMPOUNDS AND METHODS OF USE ROR1, CYP11B1, CYP11B2 MAPT 538/4885MEN1 2329/4885KMT2A 4800/4885
US-20070238726-A1 Heterobicyclic pyrazole compounds and methods of use ROR1, CYP11B1, CYP11B2 MAPT 538/4885MEN1 2329/4885KMT2A 4800/4885

“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.