SCHEMBL3601386

SCHEMBL3601386

Cc1nnccc1C(=O)N(Cc1ccccc1)c1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PDK1 Q15118 9/20 0.55
RAB9A P51151 4/20 0.53
GAA P10253 1/20 0.52
TSHR P16473 1/20 0.52
PDK2 Q15119 2/20 0.47
PDK4 Q16654 2/20 0.47
PDK3 Q15120 1/20 0.47
NPC1 O15118 4/20 0.47
ALDH1A1 P00352 2/20 0.47
HTT P42858 2/20 0.47
PAX8 Q06710 2/20 0.47
GLA P06280 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
KMT2A Q03164 2/20 0.46
MEN1 O00255 1/20 0.46
JAK2 O60674 1/20 0.45

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
SCHEMBL24212340 0.87 PDK1 (0.47) PDK1RAB9AGAATSHRPDK2
SCHEMBL3596109 0.84 TSHR (0.54) TSHRALDH1A1KMT2AMEN1
SCHEMBL3632433 0.82 PDK1 (0.54) PDK1RAB9AGAATSHRPDK2
SCHEMBL3056327 0.81 PDK1 (0.55) PDK1RAB9AGAATSHRPDK2
SCHEMBL3061506 0.80 RAB9A (0.55) PDK1RAB9AGAATSHRPDK2
SCHEMBL5482146 0.78 KMT2A (0.67) PDK1RAB9AGAATSHRPDK2
SCHEMBL3065409 0.78 GAA (0.63) PDK1RAB9AGAATSHRPDK2
SCHEMBL28072931 0.76 GAA (0.53) PDK1RAB9AGAATSHRNPC1
SCHEMBL3058847 0.76 PDK1 (0.50) PDK1RAB9AGAATSHRPDK2
SCHEMBL3049960 0.75 PDK1 (0.52) PDK1RAB9AGAATSHRPDK2

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-20100048579-A1 PYRIDAZINE-, PYRIDINE- AND PYRANE-DERIVATIVES AS GPBAR1 AGONISTS ARISTA LUCA 2010-02-25 US claimed
US-20100048579-A1 PYRIDAZINE-, PYRIDINE- AND PYRANE-DERIVATIVES AS GPBAR1 AGONISTS ARISTA LUCA 2010-02-25 US disclosed
EP-2146970-A1 PYRIDAZINE-, PYRIDINE- AND PYRANE-DERIVATIVES AS GPBAR1 AGONISIS Novartis Ag (CH) 2010-01-27 EP disclosed
WO-2008125627-A1 PYRIDAZINE-, PYRIDINE- AND PYRANE-DERIVATIVES AS GPBAR1 AGONISIS NOVARTIS AG (CH) 2008-10-23 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-20100048579-A1 PYRIDAZINE-, PYRIDINE- AND PYRANE-DERIVATIVES AS GPBAR1 AGONISTS GPBAR1, GPER1, ADRB1 PDK1 1075/4885RAB9A 2718/4885GAA 3209/4885

“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.