SCHEMBL14865911

SCHEMBL14865911

CC[C@@H](N)CN(C)c1ccnc(-c2cc(C)ccc2O)n1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKD3 O94806 2/20 0.41
PRKD1 Q15139 2/20 0.41
PRKD2 Q9BZL6 2/20 0.41
CYP19A1 P11511 1/20 0.38
F2 P00734 2/20 0.33
F10 P00742 2/20 0.33
PLG P00747 2/20 0.33
PLAU P00749 2/20 0.33
PRSS1 P07477 2/20 0.33
CYP1A2 P05177 5/20 0.33
CYP3A4 P08684 4/20 0.33
CYP2D6 P10635 3/20 0.33
ALDH1A1 P00352 2/20 0.33
KDM4E B2RXH2 1/20 0.33
HPGD P15428 1/20 0.33
TSHR P16473 2/20 0.32
ESR1 P03372 1/20 0.32
ESR2 Q92731 1/20 0.32
HTT P42858 1/20 0.32
HRH3 Q9Y5N1 1/20 0.32

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
SCHEMBL4516702 0.88 CDK9 (0.41) PRKD3PRKD1PRKD2CYP19A1CYP1A2
SCHEMBL4516694 0.88 CDK9 (0.41) PRKD3PRKD1PRKD2CYP19A1CYP1A2
SCHEMBL4516698 0.88 CDK9 (0.41) PRKD3PRKD1PRKD2CYP19A1CYP1A2
SCHEMBL14865914 0.85 LMNA (0.42) PRKD3PRKD1PRKD2CYP19A1F2
SCHEMBL4518368 0.81 PRKD3 (0.43) PRKD3PRKD1PRKD2ESR1ESR2
SCHEMBL4514159 0.81 PRKD3 (0.45) PRKD3PRKD1PRKD2
SCHEMBL4514167 0.81 PRKD3 (0.45) PRKD3PRKD1PRKD2
SCHEMBL4518375 0.81 PRKD3 (0.43) PRKD3PRKD1PRKD2ESR1ESR2
SCHEMBL4518381 0.81 PRKD3 (0.43) PRKD3PRKD1PRKD2ESR1ESR2
SCHEMBL4514171 0.81 PRKD3 (0.45) PRKD3PRKD1PRKD2

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-20160354372-A1 COMPOSITIONS AND METHODS FOR TREATING NEUROLOGICAL DISORDERS THE J. DAVID GLADSTONE INSTITUTES 2016-12-08 US disclosed
US-9359445-B2 Compositions and methods for treating neurological disorders THE J. DAVID GLADSTONE INSTITUTES (US) 2016-06-07 US disclosed
US-20130095113-A1 COMPOSITIONS AND METHODS FOR TREATING NEUROLOGICAL DISORDERS THE J. DAVID GLADSTONE INSTITUTES (US) 2013-04-18 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-20160354372-A1 COMPOSITIONS AND METHODS FOR TREATING NEUROLOGICAL DISORDERS PKD2, PKD1, CKMT1A; CKMT1B PRKD3 74/4885PRKD1 62/4885PRKD2 50/4885
US-20130095113-A1 COMPOSITIONS AND METHODS FOR TREATING NEUROLOGICAL DISORDERS PKD2, PKD1, CKMT1A; CKMT1B PRKD3 74/4885PRKD1 62/4885PRKD2 50/4885

“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.