SCHEMBL14866101

SCHEMBL14866101

CC[C@@H](N)CNc1cc(C)nc(-c2cc(C)ccc2O)n1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PRKD3 O94806 2/20 0.48
▸ PRKD1 Q15139 2/20 0.48
▸ PRKD2 Q9BZL6 2/20 0.48
▸ MEN1 O00255 15/20 0.48
▸ KMT2A Q03164 15/20 0.48
▸ HSD17B10 Q99714 5/20 0.48
▸ HPGD P15428 4/20 0.48
▸ ALDH1A1 P00352 3/20 0.48
▸ MAPT P10636 9/20 0.46
▸ KDM4E B2RXH2 7/20 0.46
▸ NPSR1 Q6W5P4 6/20 0.46
▸ LMNA P02545 5/20 0.46
▸ HTT P42858 4/20 0.46
▸ ALOX15 P16050 3/20 0.46
▸ ATM Q13315 3/20 0.46
▸ L3MBTL1 Q9Y468 2/20 0.46
▸ GAA P10253 1/20 0.46
▸ CASP1 P29466 1/20 0.46
▸ MAPK1 P28482 3/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.40

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
SCHEMBL4498405 0.88 KMT2A (0.49) PRKD3PRKD1PRKD2MEN1KMT2A
SCHEMBL4498411 0.88 KMT2A (0.49) PRKD3PRKD1PRKD2MEN1KMT2A
SCHEMBL4498417 0.88 KMT2A (0.49) PRKD3PRKD1PRKD2MEN1KMT2A
SCHEMBL4509287 0.85 PRKD3 (0.66) PRKD3PRKD1PRKD2MEN1KMT2A
SCHEMBL4509280 0.85 PRKD3 (0.66) PRKD3PRKD1PRKD2MEN1KMT2A
SCHEMBL4509289 0.85 PRKD3 (0.66) PRKD3PRKD1PRKD2MEN1KMT2A
SCHEMBL14866129 0.82 PRKD3 (0.58) PRKD3PRKD1PRKD2MEN1KMT2A
SCHEMBL4518259 0.81 PRKD3 (0.54) PRKD3PRKD1PRKD2MEN1KMT2A
SCHEMBL4518250 0.81 PRKD3 (0.54) PRKD3PRKD1PRKD2MEN1KMT2A
SCHEMBL4511925 0.81 PRKD3 (0.52) PRKD3PRKD1PRKD2MEN1KMT2A

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.

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