SCHEMBL19035707

SCHEMBL19035707

COCC1CN(c2ncccn2)CCN1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKCQ Q04759 2/20 0.49
KDM4E B2RXH2 2/20 0.44
ALDH1A1 P00352 2/20 0.44
ADRB1 P08588 1/20 0.42
DRD2 P14416 6/20 0.40
DRD4 P21917 6/20 0.40
HPGD P15428 2/20 0.40
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
TSHR P16473 1/20 0.39
REN P00797 2/20 0.38
PRKCD Q05655 1/20 0.38
ROCK2 O75116 1/20 0.38
ROCK1 Q13464 1/20 0.38
MAPT P10636 1/20 0.37
RAB9A P51151 1/20 0.37
KMT2A Q03164 1/20 0.37
CHRNB4 P30926 1/20 0.36
CHRNA3 P32297 1/20 0.36
HSD17B10 Q99714 1/20 0.36

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
SCHEMBL83060 0.86 PRKCQ (0.41) PRKCQALDH1A1ADRB1HPGDREN
Hydrochloric Acid SCHEMBL31087090 0.82 PRKCQ (0.52) PRKCQKDM4EALDH1A1ADRB1DRD2
SCHEMBL24968147 0.81 SCN9A (0.44) PRKCQADRB1
SCHEMBL27233803 0.81 SCN9A (0.44) PRKCQADRB1
SCHEMBL64617 0.79 DRD2 (0.39) PRKCQADRB1DRD2DRD4RAB9A
SCHEMBL27766724 0.79 ADRB1 (0.39) PRKCQKDM4EADRB1HPGDREN
SCHEMBL27766723 0.79 SCN9A (0.40) PRKCQADRB1REN
SCHEMBL6911735 0.78 ADRB1 (0.60) PRKCQALDH1A1ADRB1DRD2DRD4
SCHEMBL6911746 0.78 ADRB1 (0.60) PRKCQALDH1A1ADRB1DRD2DRD4
SCHEMBL12356280 0.76 ALDH1A1 (0.53) PRKCQKDM4EALDH1A1HPGDCYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10301267-B2 Compounds ASTRAZENECA AB (SE) 2019-05-28 US disclosed
US-20170260143-A1 NOVEL COMPOUNDS ASTRAZENECA AB (SE) 2017-09-14 US disclosed
US-9688640-B2 Methods of treating cancer with a pyrazole derivative ASTRAZENECA AB (SE) 2017-06-27 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 (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-10301267-B2 Compounds SLC10A1, CYP11B1, ABCB11 PRKCQ 4512/4885KDM4E 2865/4885ALDH1A1 78/4885
US-20170260143-A1 NOVEL COMPOUNDS SLC10A1, ABCB11, CYP11B1 PRKCQ 3087/4885KDM4E 3393/4885ALDH1A1 338/4885

“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.