SCHEMBL11960342

SCHEMBL11960342

CN(CCO)c1cc(C(C)(C)C)ncn1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 1/20 0.44
▸ HSD17B10 Q99714 1/20 0.38
▸ EGFR P00533 2/20 0.37
▸ MAPK1 P28482 2/20 0.36
▸ TRPV1 Q8NER1 5/20 0.35
▸ TACR1 P25103 1/20 0.33
▸ TACR3 P29371 1/20 0.33
▸ KDM4E B2RXH2 2/20 0.32
▸ ALDH1A1 P00352 2/20 0.32
▸ MAPT P10636 1/20 0.32
▸ HPGD P15428 1/20 0.32
▸ HTT P42858 1/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.32
▸ PDE10A Q9Y233 1/20 0.32
▸ MAP4K4 O95819 1/20 0.32
▸ CHEK1 O14757 1/20 0.32

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
SCHEMBL16454357 0.81 KMT2A (0.36) HSD17B10MAPK1TRPV1ALDH1A1MAPT
SCHEMBL14872345 0.77 POLB (0.47) POLBHSD17B10EGFRMAPK1TACR1
SCHEMBL17342208 0.77 — —
SCHEMBL17816263 0.76 CYP1A2 (0.41) HSD17B10MAPK1ALDH1A1
SCHEMBL16840930 0.76 POLB (0.46) POLBHSD17B10EGFRMAPK1KDM4E
SCHEMBL5883439 0.76 POLB (0.46) POLBHSD17B10EGFRMAPK1TACR1
SCHEMBL11981454 0.75 POLB (0.45) POLBHSD17B10EGFRMAPK1TRPV1
SCHEMBL11960322 0.73 POLB (0.44) POLBHSD17B10EGFRMAPK1TRPV1
Hydrochloric Acid SCHEMBL11781408 0.69 KMT2A (0.60) POLBHSD17B10EGFRMAPK1ALDH1A1
SCHEMBL278866 0.69 CA2 (0.37) HSD17B10KDM4ESMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9309240-B2 Pyrazolopyridine compounds, compositions and methods of use GENENTECH, INC. (US) 2016-04-12 — — US disclosed
US-20130252941-A1 PYRAZOLOPYRIDINE COMPOUNDS, COMPOSITIONS AND METHODS OF USE F. HOFFMANN-LA ROCHE AG (CH) 2013-09-26 — — US disclosed
US-20130096104-A1 IMIDAZOPYRIDINE COMPOUNDS, COMPOSITIONS AND METHODS OF USE GENENTECH, INC. (US) 2013-04-18 — — US disclosed
US-20120202788-A1 AZABENZOTHIAZOLE COMPOUNDS, COMPOSITIONS AND METHODS OF USE F. HOFFMANN-LA ROCHE AG (CH) 2012-08-09 — — 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-20130096104-A1 IMIDAZOPYRIDINE COMPOUNDS, COMPOSITIONS AND METHODS OF USE TYK2, IRAK1, IRAK4 POLB 1289/4885HSD17B10 4503/4885EGFR 1005/4885
US-20130252941-A1 PYRAZOLOPYRIDINE COMPOUNDS, COMPOSITIONS AND METHODS OF USE P2RX5, P2RX4, P2RY1 POLB 3287/4885HSD17B10 4319/4885EGFR 2926/4885
US-20120202788-A1 AZABENZOTHIAZOLE COMPOUNDS, COMPOSITIONS AND METHODS OF USE F12, CHRM1, NPY1R POLB 955/4885HSD17B10 2413/4885EGFR 2436/4885

“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.

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