Sugi Predict

Sugi Predict / Compounds / SCHEMBL12536635

SCHEMBL12536635

SCHEMBL12536635

CC(=O)N(Cc1ccccc1)c1ccc(C(C)(C)C)c(F)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TSPO P30536 2/20 0.55
▸ NR1H4 Q96RI1 2/20 0.47
▸ RAB9A P51151 3/20 0.45
▸ CRHBP P24387 1/20 0.44
▸ CRHR2 Q13324 1/20 0.44
▸ LTB4R2 Q9NPC1 2/20 0.43
▸ MAPK14 Q16539 1/20 0.43
▸ HDAC6 Q9UBN7 2/20 0.42
▸ HTT P42858 2/20 0.41
▸ ACHE P22303 2/20 0.41
▸ KDM4E B2RXH2 1/20 0.41
▸ LMNA P02545 1/20 0.41
▸ MAPT P10636 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ NPSR1 Q6W5P4 1/20 0.41
▸ NPC1 O15118 1/20 0.40
▸ JAK2 O60674 1/20 0.40
▸ ALDH1A1 P00352 1/20 0.40
▸ PAX8 Q06710 1/20 0.40
▸ HDAC3 O15379 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
SCHEMBL3095422 0.82 TSPO (0.58) TSPONR1H4RAB9ACRHBPCRHR2
SCHEMBL12560893 0.81 TSPO (0.57) TSPORAB9ACRHBPCRHR2LTB4R2
SCHEMBL5694553 0.75 TSPO (0.72) TSPORAB9ACRHBPCRHR2LTB4R2
SCHEMBL1924545 0.74 LTB4R2 (0.51) TSPORAB9ALTB4R2HTTSMN1; SMN2
SCHEMBL14176611 0.72 TSPO (0.73) TSPORAB9ALTB4R2HTTSMN1; SMN2
SCHEMBL1260164 0.72 ACHE (0.53) TSPONR1H4RAB9AHTTACHE
SCHEMBL12764035 0.72 TSPO (0.77) TSPORAB9ACRHBPCRHR2LTB4R2
SCHEMBL8009661 0.71 TSPO (0.62) TSPORAB9ACRHBPCRHR2LTB4R2
SCHEMBL4822461 0.71 TSPO (0.62) TSPORAB9ALTB4R2HDAC6HTT
SCHEMBL24166877 0.71 TSPO (0.66) TSPORAB9ACRHBPCRHR2LTB4R2

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-20110130406-A1 PYRAZOLO-PYRIDINES AS TYROSINE KINASE INHIBITORS ARRAY BIOPHARMA INC. (US) 2011-06-02 — — 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

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-20100256356-A1 HETEROBICYCLIC PYRAZOLE COMPOUNDS AND METHODS OF USE ROR1, CYP11B1, CYP11B2 TSPO 1231/4885NR1H4 109/4885RAB9A 2498/4885
US-20110130406-A1 PYRAZOLO-PYRIDINES AS TYROSINE KINASE INHIBITORS TYRO3, LCK, LTK TSPO 1150/4885NR1H4 817/4885RAB9A 2234/4885
US-20070238726-A1 Heterobicyclic pyrazole compounds and methods of use ROR1, CYP11B1, CYP11B2 TSPO 1231/4885NR1H4 109/4885RAB9A 2498/4885

“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.