SCHEMBL318675

SCHEMBL318675

CCCNNCc1cccnc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.58
CYP2D6 P10635 1/20 0.58
PKM P14618 2/20 0.56
RAD52 P43351 1/20 0.56
ALDH1A1 P00352 4/20 0.56
NPSR1 Q6W5P4 1/20 0.56
CHRM2 P08172 1/20 0.53
TDP1 Q9NUW8 2/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
LTA4H P09960 1/20 0.50
TP53 P04637 1/20 0.49
POLB P06746 1/20 0.49
KMT2A Q03164 1/20 0.49
HTT P42858 2/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
RECQL P46063 1/20 0.47
CHRNB2 P17787 1/20 0.47
CHRNA4 P43681 1/20 0.47
FES P07332 1/20 0.46
RET P07949 1/20 0.46

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
SCHEMBL5361875 0.87 CYP1A2 (0.75) CYP1A2CYP2D6PKMALDH1A1NPSR1
SCHEMBL28547031 0.85 CYP1A2 (0.62) CYP1A2CYP2D6PKMALDH1A1NPSR1
SCHEMBL3738479 0.84 CYP1A2 (0.71) CYP1A2CYP2D6PKMRAD52ALDH1A1
SCHEMBL9562319 0.82 CYP1A2 (0.58) CYP1A2CYP2D6PKMRAD52ALDH1A1
Hydrochloric Acid SCHEMBL5379316 0.82 CYP1A2 (0.69) CYP1A2CYP2D6PKMRAD52ALDH1A1
SCHEMBL27327804 0.79 CYP1A2 (0.65) CYP1A2CYP2D6PKMRAD52ALDH1A1
SCHEMBL2711100 0.77 CHRM2 (0.75) CYP1A2CYP2D6PKMRAD52ALDH1A1
SCHEMBL6468844 0.77 LMNA (0.45) ALDH1A1L3MBTL1KMT2AHTTSMN1; SMN2
SCHEMBL2893366 0.77 MEN1 (0.50) CHRM2TDP1TP53KMT2A
SCHEMBL2188249 0.76 CHRM2 (0.78) CYP1A2CYP2D6ALDH1A1NPSR1CHRM2

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-20080287445-A1 Prokineticin 2 receptor antagonists JANSSEN PHARMACEUTICA N.V. (BE) 2008-11-20 US claimed
EP-1973886-A2 PROKINETICIN 1 RECEPTOR ANTAGONISTS Janssen Pharmaceutica, N.V. (BE) 2008-10-01 EP disclosed
WO-2007079163-A2 PROKINETICIN 1 RECEPTOR ANTAGONISTS JANSSEN PHARMACEUTICA N.V. (BE) 2007-07-12 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-20080287445-A1 Prokineticin 2 receptor antagonists PROKR2, PROKR1, GIPR CYP1A2 2416/4885CYP2D6 2520/4885PKM 978/4885

“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.