SCHEMBL11981508

SCHEMBL11981508

Cc1cc(C)nc(N2CCN(CCO)CC2)n1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 4/20 0.62
▸ KMT2A Q03164 4/20 0.62
▸ CYP3A4 P08684 1/20 0.62
▸ CYP2C9 P11712 1/20 0.62
▸ CYP2C19 P33261 1/20 0.62
▸ SORD Q00796 1/20 0.51
▸ ALDH1A1 P00352 4/20 0.49
▸ KDM4E B2RXH2 3/20 0.49
▸ HTT P42858 1/20 0.49
▸ HTR1A P08908 6/20 0.48
▸ USP2 O75604 2/20 0.47
▸ HPGD P15428 2/20 0.47
▸ NPSR1 Q6W5P4 1/20 0.47
▸ HSD17B10 Q99714 1/20 0.47
▸ SMN1; SMN2 Q16637 3/20 0.47
▸ GLA P06280 1/20 0.47
▸ HTR2A P28223 1/20 0.46
▸ TSHR P16473 2/20 0.46
▸ TP53 P04637 1/20 0.46
▸ MAPT P10636 1/20 0.46

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
SCHEMBL807735 0.89 MEN1 (0.54) MEN1KMT2ACYP3A4CYP2C9CYP2C19
SCHEMBL7486793 0.89 HTR1A (0.53) MEN1KMT2ACYP3A4CYP2C9CYP2C19
SCHEMBL11960311 0.87 MEN1 (0.51) MEN1KMT2ACYP3A4CYP2C9CYP2C19
SCHEMBL13033015 0.86 SORD (0.54) MEN1KMT2ACYP3A4CYP2C9CYP2C19
SCHEMBL13033969 0.81 ACHE (0.56) MEN1KMT2ACYP3A4CYP2C9CYP2C19
SCHEMBL10819395 0.80 KMT2A (0.53) MEN1KMT2ASORDALDH1A1KDM4E
SCHEMBL11981518 0.79 SORD (0.57) MEN1KMT2ACYP3A4CYP2C9CYP2C19
SCHEMBL8171578 0.77 HRH4 (0.65) MEN1KMT2ASORDKDM4EUSP2
SCHEMBL9755201 0.77 MEN1 (0.73) MEN1KMT2ACYP3A4CYP2C9CYP2C19
SCHEMBL5792508 0.76 CRHBP (0.60) SMN1; SMN2MAPTGFER

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-9309240-B2 Pyrazolopyridine compounds, compositions and methods of use GENENTECH, INC. (US) 2016-04-12 — — US disclosed
US-20140206702-A1 IMIDAZOPYRIDINE COMPOUNDS, COMPOSITIONS AND METHODS OF USE GENENTECH, INC. (US) 2014-07-24 — — 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 (4 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 MEN1 4055/4885KMT2A 2005/4885CYP3A4 858/4885
US-20140206702-A1 IMIDAZOPYRIDINE COMPOUNDS, COMPOSITIONS AND METHODS OF USE P2RX6, P2RY6, CYP2D6 MEN1 2558/4885KMT2A 3958/4885CYP3A4 100/4885
US-20130252941-A1 PYRAZOLOPYRIDINE COMPOUNDS, COMPOSITIONS AND METHODS OF USE P2RX5, P2RX4, P2RY1 MEN1 2362/4885KMT2A 4176/4885CYP3A4 73/4885
US-20120202788-A1 AZABENZOTHIAZOLE COMPOUNDS, COMPOSITIONS AND METHODS OF USE F12, CHRM1, NPY1R MEN1 1285/4885KMT2A 2299/4885CYP3A4 33/4885

“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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