Sugi Predict

Sugi Predict / Compounds / SCHEMBL8005264

SCHEMBL8005264

SCHEMBL8005264

Cc1ccc2nc(C(C)(C)O)ccc2c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 4/20 0.55
▸ NCK1 P16333 1/20 0.52
▸ BACE1 P56817 1/20 0.52
▸ ALDH1A1 P00352 6/20 0.43
▸ CYP2A6 P11509 3/20 0.43
▸ MEN1 O00255 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ HSD17B14 Q9BPX1 1/20 0.38
▸ NQO2 P16083 1/20 0.38
▸ PSMB5 P28074 1/20 0.38
▸ TDP1 Q9NUW8 1/20 0.38
▸ KDM4E B2RXH2 4/20 0.37
▸ HSD17B10 Q99714 1/20 0.37
▸ NPC1 O15118 1/20 0.37
▸ HPGD P15428 1/20 0.37
▸ NFKB1 P19838 1/20 0.37
▸ RAB9A P51151 1/20 0.37
▸ NFKB2 Q00653 1/20 0.37
▸ RELA Q04206 1/20 0.37
▸ SMN1; SMN2 Q16637 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
SCHEMBL10057584 0.86 CYP1A2 (0.61) CYP1A2NCK1BACE1ALDH1A1CYP2A6
SCHEMBL26405113 0.81 CYP1A2 (0.55) CYP1A2NCK1BACE1ALDH1A1CYP2A6
SCHEMBL26167592 0.80 HTR3A (0.43) BACE1ALDH1A1CYP2A6MEN1KMT2A
SCHEMBL2556988 0.80 BACE1 (0.50) CYP1A2BACE1ALDH1A1CYP2A6MEN1
SCHEMBL13347730 0.79 CYP1A2 (0.57) CYP1A2NCK1BACE1ALDH1A1CYP2A6
SCHEMBL30106734 0.79 CYP1A2 (0.57) CYP1A2NCK1BACE1ALDH1A1CYP2A6
SCHEMBL12963797 0.79 CYP1A2 (0.52) CYP1A2NCK1BACE1ALDH1A1CYP2A6
SCHEMBL27141565 0.76 CYP2A6 (0.36) ALDH1A1CYP2A6MEN1KMT2ATDP1
SCHEMBL30718863 0.76 TYMS (0.34) CYP1A2ALDH1A1TDP1
SCHEMBL27143530 0.76 TYMS (0.34) CYP1A2ALDH1A1TDP1

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
EP-2299824-B1 PYRAZOLE DERIVATIVES USEFUL AS INHIBITORS OF FAAH MERCK SHARP & DOHME (US) 2013-06-19 — — EP disclosed
US-20110144056-A1 PYRAZOLE DERIVATIVES USEFUL AS INHIBITORS OF FAAH MERCK SHARP & DOHME CORP. 2011-06-16 — — US disclosed
US-20110003759-A1 NON-BASIC MELANIN CONCENTRATING HORMONE RECEPTOR-1 ANTAGONISTS AND METHODS BRISTOL-MYERS SQUIBB COMPANY 2011-01-06 — — US disclosed
US-20110003759-A1 NON-BASIC MELANIN CONCENTRATING HORMONE RECEPTOR-1 ANTAGONISTS AND METHODS BRISTOL-MYERS SQUIBB COMPANY 2011-01-06 — — US disclosed
WO-2009151991-A1 PYRAZOLE DERIVATIVES USEFUL AS INHIBITORS OF FAAH MERCK & CO., INC. (US) 2009-12-17 — — WO disclosed
WO-2009009501-A2 NON-BASIC MELANIN CONCENTRATING HORMONE RECEPTOR-1 ANTAGONISTS AND METHODS BRISTOL-MYERS SQUIBB COMPANY (US) 2009-01-15 — — 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 (2 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-20110144056-A1 PYRAZOLE DERIVATIVES USEFUL AS INHIBITORS OF FAAH FAAH, FAAH2, HRH2 CYP1A2 304/4885NCK1 2598/4885BACE1 155/4885
US-20110003759-A1 NON-BASIC MELANIN CONCENTRATING HORMONE RECEPTOR-1 ANTAGONISTS AND METHODS MCHR1, MCHR2, MC1R CYP1A2 953/4885NCK1 3711/4885BACE1 3460/4885

“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.