SCHEMBL15230293

SCHEMBL15230293

O=c1oc2ccncc2cc1N1CCNCC1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LATS1 O95835 2/20 0.45
PRKCA P17252 5/20 0.43
PRKCD Q05655 5/20 0.43
PRKCB P05771 4/20 0.43
PRKCH P24723 4/20 0.43
PRKCE Q02156 4/20 0.43
PRKCQ Q04759 4/20 0.43
PRKD1 Q15139 4/20 0.43
ADRB2 P07550 1/20 0.41
NCF1 P14598 1/20 0.41
PLD1 Q13393 1/20 0.41
PRKD3 O94806 2/20 0.40
PRKCG P05129 2/20 0.40
CYP3A4 P08684 2/20 0.40
ADORA3 P0DMS8 2/20 0.40
PRKACA P17612 2/20 0.40
PRKACG P22612 2/20 0.40
PRKACB P22694 2/20 0.40
PRKCI P41743 2/20 0.40
PRKCZ Q05513 2/20 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
SCHEMBL722215 0.80 BACE1 (0.55) NCF1KDM4ECYP1A2BACE1HTR1A
Hydrochloric Acid SCHEMBL15066499 0.78 BACE1 (0.54) NCF1KDM4ECYP1A2BACE1HTR1A
Hydrochloric Acid SCHEMBL5501060 0.77 BACE1 (0.53) NCF1KDM4ECYP1A2BACE1HTR1A
SCHEMBL9229724 0.69 HTR6 (0.48) NCF1KDM4ECYP1A2BACE1SLC6A4
SCHEMBL20521379 0.69 ADRB2 (0.52) LATS1PRKCAPRKCQADRB2NCF1
SCHEMBL15066502 0.69 RPS6KA3 (0.47) ADRB2NCF1PLD1CHRNB2CHRNA4
SCHEMBL27476454 0.69 HTR6 (0.47) NCF1KDM4ECYP1A2BACE1SLC6A4
Hydrochloric Acid SCHEMBL29586065 0.68 ADRB2 (0.50) LATS1PRKCAPRKCQADRB2NCF1
SCHEMBL2420958 0.68 CYP2D6 (0.66) LATS1PRKCAPRKCDPRKCBPRKCH
SCHEMBL1904695 0.67 ADRB2 (0.59) LATS1ADRB2NCF1PLD1CYP3A4

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-9371336-B2 Compounds for treating spinal muscular atrophy PTC THERAPEUTICS, INC. (US) 2016-06-21 US disclosed
US-20150166575-A1 COMPOUNDS FOR TREATING SPINAL MUSCULAR ATROPHY PTC THERAPEUTICS INC. (US) 2015-06-18 US disclosed
EP-2819519-A1 COMPOUNDS FOR TREATING SPINAL MUSCULAR ATROPHY PTC Therapeutics, Inc. (US) 2015-01-07 EP disclosed
WO-2013130689-A1 COMPOUNDS FOR TREATING SPINAL MUSCULAR ATROPHY PTC THERAPEUTICS, INC. (US) 2013-09-06 WO 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 (1 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-20150166575-A1 COMPOUNDS FOR TREATING SPINAL MUSCULAR ATROPHY SMN1; SMN2, CPT1B, GYS1 LATS1 2742/4885PRKCA 870/4885PRKCD 2232/4885

“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.