SCHEMBL14865912

SCHEMBL14865912

CC[C@@H](N)CNc1ccnc(-c2cc(-c3ccn(C)c3)ccc2O)n1

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PRKD3 O94806 2/20 0.75
▸ PRKD1 Q15139 2/20 0.75
▸ PRKD2 Q9BZL6 2/20 0.75
▸ HRH3 Q9Y5N1 1/20 0.35
▸ PRMT5 O14744 1/20 0.33
▸ WDR77 Q9BQA1 1/20 0.33
▸ ALDH1A1 P00352 2/20 0.32
▸ CYP1A2 P05177 2/20 0.32
▸ CYP3A4 P08684 2/20 0.32
▸ CYP2D6 P10635 2/20 0.32
▸ CYP2C19 P33261 2/20 0.32
▸ HSD17B10 Q99714 2/20 0.32
▸ CLK4 Q9HAZ1 2/20 0.32
▸ TSHR P16473 1/20 0.32
▸ HIF1A Q16665 1/20 0.32
▸ KDM4E B2RXH2 1/20 0.31
▸ LMNA P02545 1/20 0.31
▸ MAPT P10636 1/20 0.31
▸ HPGD P15428 1/20 0.31
▸ TLR9 Q9NR96 1/20 0.31

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
SCHEMBL14866129 0.87 PRKD3 (0.58) PRKD3PRKD1PRKD2ALDH1A1CYP1A2
SCHEMBL4511350 0.86 PRKD3 (0.74) PRKD3PRKD1PRKD2HRH3ALDH1A1
SCHEMBL4511344 0.86 PRKD3 (0.74) PRKD3PRKD1PRKD2HRH3ALDH1A1
SCHEMBL4511341 0.86 PRKD3 (0.74) PRKD3PRKD1PRKD2HRH3ALDH1A1
SCHEMBL4514713 0.86 PRKD3 (1.00) PRKD3PRKD1PRKD2
SCHEMBL4514725 0.86 PRKD3 (1.00) PRKD3PRKD1PRKD2
SCHEMBL4514722 0.86 PRKD3 (1.00) PRKD3PRKD1PRKD2
SCHEMBL4512516 0.85 PRKD3 (0.72) PRKD3PRKD1PRKD2HRH3CYP3A4
SCHEMBL4512527 0.85 PRKD3 (0.72) PRKD3PRKD1PRKD2HRH3CYP3A4
SCHEMBL4523068 0.85 PRKD3 (0.72) PRKD3PRKD1PRKD2HRH3ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230340491-A1 COMPOSITIONS AND METHODS FOR TREATING METABOLIC AND CARDIOVASCULAR DISEASES UNIVERSITY OF ROCHESTER 2023-10-26 — — US disclosed
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 (3 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-20230340491-A1 COMPOSITIONS AND METHODS FOR TREATING METABOLIC AND CARDIOVASCULAR DISEASES LIPC, FABP1, GOT2 PRKD3 1685/4885PRKD1 2799/4885PRKD2 2848/4885
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.

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