SCHEMBL19035625

SCHEMBL19035625

CC1(C)CN(c2cnccn2)CCN1

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
LATS1 O95835 1/20 0.45
KDM4E B2RXH2 1/20 0.43
PRKCQ Q04759 1/20 0.42
EIF2AK4 Q9P2K8 1/20 0.42
CSNK1E P49674 4/20 0.41
HDAC1 Q13547 1/20 0.41
LMNA P02545 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
CDK4 P11802 6/20 0.39
CDK6 Q00534 2/20 0.39
PIM1 P11309 1/20 0.39
PIM2 Q9P1W9 1/20 0.39

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
SCHEMBL82946 0.79 HDAC1 (0.45) LATS1PRKCQEIF2AK4CSNK1EHDAC1
SCHEMBL18096405 0.78 PLD1 (0.58) KDM4EPRKCQCSNK1EHDAC1
Hydrochloric Acid SCHEMBL23124046 0.77 PLD1 (0.57) KDM4EPRKCQCSNK1EHDAC1
SCHEMBL16236124 0.75 ALDH1A1 (0.53) LATS1KDM4EPRKCQEIF2AK4CSNK1E
SCHEMBL26050079 0.74 KDM4E (0.43) KDM4ELMNAL3MBTL1
SCHEMBL8040 0.74 PLD1 (0.56) KDM4ELMNAL3MBTL1PIM1PIM2
SCHEMBL1477436 0.74 PLD1 (0.56) KDM4ELMNAL3MBTL1PIM1PIM2
SCHEMBL29403876 0.74 PLD1 (0.56) KDM4ELMNAL3MBTL1PIM1PIM2
Hydrochloric Acid SCHEMBL16236313 0.73 ALDH1A1 (0.56) LATS1KDM4EPRKCQEIF2AK4CSNK1E
Hydrochloric Acid SCHEMBL27529179 0.73 ALDH1A1 (0.56) LATS1KDM4EPRKCQEIF2AK4CSNK1E

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 LATS1 2774/4885KDM4E 2865/4885PRKCQ 4512/4885
US-20170260143-A1 NOVEL COMPOUNDS SLC10A1, ABCB11, CYP11B1 LATS1 2230/4885KDM4E 3393/4885PRKCQ 3087/4885

“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.