SCHEMBL11960308

SCHEMBL11960308

CC(C)c1cc(N2CCN(C)CC2)ncn1

nearest known ligand 0.57

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ HRH4 Q9H3N8 8/20 0.53
▸ CYP1A2 P05177 6/20 0.49
▸ HRH3 Q9Y5N1 2/20 0.49
▸ ALDH1A1 P00352 3/20 0.48
▸ HSD17B10 Q99714 2/20 0.48
▸ ALOX15 P16050 2/20 0.48
▸ CYP2C19 P33261 2/20 0.48
▸ KDM4E B2RXH2 1/20 0.48
▸ GLA P06280 1/20 0.48
▸ MAPT P10636 1/20 0.48
▸ HPGD P15428 1/20 0.48
▸ CYP2C9 P11712 1/20 0.47
▸ TSHR P16473 1/20 0.47
▸ MAPK1 P28482 1/20 0.47
▸ HRH2 P25021 1/20 0.47
▸ DRD2 P14416 1/20 0.46
▸ HTR6 P50406 1/20 0.46
▸ HTR3A P46098 1/20 0.45

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
SCHEMBL11960323 0.86 SMN1; SMN2 (0.46) HRH4HRH3ALDH1A1CYP2C19TSHR
SCHEMBL13034784 0.84 SMN1; SMN2 (0.49) HRH4HRH3ALDH1A1CYP2C19TSHR
SCHEMBL24319168 0.83 HRH4 (0.65) HRH4CYP1A2HRH3ALDH1A1HSD17B10
SCHEMBL25653338 0.83 LRRK2 (0.47) HRH4HRH3ALDH1A1HPGDDRD2
SCHEMBL11960332 0.82 LRRK2 (0.43) HRH4CYP1A2HRH3ALDH1A1HSD17B10
SCHEMBL25653356 0.82 LRRK2 (0.49) HRH4HRH3HRH2
SCHEMBL11960312 0.82 LRRK2 (0.48) HSD17B10ALOX15CYP2C19KDM4ECYP2C9
SCHEMBL10223327 0.81 CYP2C19 (0.58) CYP1A2ALDH1A1CYP2C19MAPTCYP2C9
SCHEMBL16903679 0.80 LRRK2 (0.44) CYP2C19
SCHEMBL11960320 0.79 LRRK2 (0.45) HRH4HRH3CYP2C19

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 13 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-20140171408-A1 AZABENZOTHIAZOLE COMPOUNDS, COMPOSITIONS AND METHODS OF USE GENENTECH, INC. (US) 2014-06-19 — — US disclosed
US-20130252941-A1 PYRAZOLOPYRIDINE COMPOUNDS, COMPOSITIONS AND METHODS OF USE F. HOFFMANN-LA ROCHE AG (CH) 2013-09-26 — — US disclosed
US-8497278-B2 Imidazo[1,2-a]pyridine compounds SUNOVION PHARMACEUTICALS INC. (US) 2013-07-30 — — US disclosed
US-8486950-B2 Janus kinase inhibitor compounds and methods F. HOFFMANN-LA ROCHE AG (CH) 2013-07-16 — — 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
US-20120202788-A1 AZABENZOTHIAZOLE COMPOUNDS, COMPOSITIONS AND METHODS OF USE F. HOFFMANN-LA ROCHE AG (CH) 2012-08-09 — — US disclosed
US-20110166146-A1 IMIDAZO[1,2-a]PYRIDINE COMPOUNDS SUNOVION PHARMACEUTICALS INC. (US) 2011-07-07 — — US disclosed
US-20110166146-A1 IMIDAZO[1,2-a]PYRIDINE COMPOUNDS SUNOVION PHARMACEUTICALS INC. (US) 2011-07-07 — — US disclosed
US-20100317643-A1 JANUS KINASE INHIBITOR COMPOUNDS AND METHODS GENENTECH, INC. (US) 2010-12-16 — — US disclosed
US-20100317643-A1 JANUS KINASE INHIBITOR COMPOUNDS AND METHODS GENENTECH, INC. (US) 2010-12-16 — — 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 (7 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 HRH4 123/4885CYP1A2 831/4885HRH3 307/4885
US-20140206702-A1 IMIDAZOPYRIDINE COMPOUNDS, COMPOSITIONS AND METHODS OF USE P2RX6, P2RY6, CYP2D6 HRH4 12/4885CYP1A2 151/4885HRH3 77/4885
US-20110166146-A1 IMIDAZO[1,2-a]PYRIDINE COMPOUNDS PAICS, ITPA, DPYD HRH4 166/4885CYP1A2 61/4885HRH3 756/4885
US-20130252941-A1 PYRAZOLOPYRIDINE COMPOUNDS, COMPOSITIONS AND METHODS OF USE P2RX5, P2RX4, P2RY1 HRH4 82/4885CYP1A2 75/4885HRH3 171/4885
US-20100317643-A1 JANUS KINASE INHIBITOR COMPOUNDS AND METHODS JAK2, JAK1, JAK3 HRH4 688/4885CYP1A2 756/4885HRH3 1062/4885
US-20140171408-A1 AZABENZOTHIAZOLE COMPOUNDS, COMPOSITIONS AND METHODS OF USE F12, CHRM1, NPY1R HRH4 223/4885CYP1A2 22/4885HRH3 605/4885
US-20120202788-A1 AZABENZOTHIAZOLE COMPOUNDS, COMPOSITIONS AND METHODS OF USE F12, CHRM1, NPY1R HRH4 223/4885CYP1A2 22/4885HRH3 605/4885

“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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