SCHEMBL2452610

SCHEMBL2452610

CCc1ccccc1C(=NN(C)C)n1ccnc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 4/20 0.38
ADRB1 P08588 4/20 0.38
ADRB3 P13945 4/20 0.38
CYP19A1 P11511 2/20 0.38
CYP11B1 P15538 1/20 0.35
CYP11B2 P19099 1/20 0.35
KDM4E B2RXH2 2/20 0.34
AHR P35869 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
HSD17B10 Q99714 2/20 0.34
NR1I2 O75469 1/20 0.34
NR3C1 P04150 1/20 0.34
HTR1A P08908 1/20 0.34
ADORA3 P0DMS8 1/20 0.34
CNR1 P21554 1/20 0.34
TBXA2R P21731 1/20 0.34
SLC6A2 P23975 1/20 0.34
HTR2A P28223 1/20 0.34
HTR2C P28335 1/20 0.34
SLC6A4 P31645 1/20 0.34

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
SCHEMBL2452609 1.00 ADRB2 (0.38) ADRB2ADRB1ADRB3CYP19A1CYP11B1
SCHEMBL2452051 0.86 LIPG (0.38) ADRB2ADRB1ADRB3CYP19A1TBXAS1
SCHEMBL2452050 0.86 LIPG (0.38) ADRB2ADRB1ADRB3CYP19A1TBXAS1
SCHEMBL2449881 0.85 ALDH1A1 (0.40) ADRB2ADRB1ADRB3KDM4EALDH1A1
SCHEMBL2449877 0.85 ALDH1A1 (0.40) ADRB2ADRB1ADRB3KDM4EALDH1A1
SCHEMBL2453666 0.83 ADRB2 (0.39) ADRB2ADRB1ADRB3CYP19A1CYP11B1
SCHEMBL2449461 0.83 ADRB2 (0.35) ADRB2ADRB1ADRB3CYP19A1CYP11B1
SCHEMBL2449454 0.83 ADRB2 (0.35) ADRB2ADRB1ADRB3CYP19A1CYP11B1
SCHEMBL2453671 0.83 ADRB2 (0.39) ADRB2ADRB1ADRB3CYP19A1CYP11B1
SCHEMBL2452897 0.82 IDO1 (0.43) ADRB2ADRB1ADRB3CYP19A1KDM4E

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
US-8022072-B2 Azolylmethylidenehydrazine derivative and use thereof KAKEN PHARMACEUTICAL CO., LTD. (JP) 2011-09-20 US claimed
US-20100190754-A1 AZOLYLMETHYLIDENEHYDRAZINE DERIVATIVE AND USE THEREOF KAKEN PHARMACEUTICAL CO., LTD. (JP) 2010-07-29 US claimed
EP-2168951-A1 AZOLYLMETHYLENEHYDRAZINE DERIVATIVE AND USE THEREOF KAKEN PHARMACEUTICAL CO., LTD. (JP) 2010-03-31 EP claimed
US-8022072-B2 Azolylmethylidenehydrazine derivative and use thereof KAKEN PHARMACEUTICAL CO., LTD. (JP) 2011-09-20 US disclosed
US-20100190754-A1 AZOLYLMETHYLIDENEHYDRAZINE DERIVATIVE AND USE THEREOF KAKEN PHARMACEUTICAL CO., LTD. (JP) 2010-07-29 US disclosed
EP-2168951-A1 AZOLYLMETHYLENEHYDRAZINE DERIVATIVE AND USE THEREOF KAKEN PHARMACEUTICAL CO., LTD. (JP) 2010-03-31 EP 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 (1 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-20100190754-A1 AZOLYLMETHYLIDENEHYDRAZINE DERIVATIVE AND USE THEREOF ARSA, AHR, HRH2 ADRB2 16/4885ADRB1 33/4885ADRB3 64/4885

“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.