SCHEMBL12468515

SCHEMBL12468515

COc1ccc2c(CN(C)C)cc(-n3cccn3)nc2c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 2/20 0.41
CLK1 P49759 1/20 0.40
CDK5 Q00535 1/20 0.40
DYRK1A Q13627 1/20 0.40
CDK5R1 Q15078 1/20 0.40
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
CYP1A2 P05177 3/20 0.39
CYP2C19 P33261 3/20 0.39
SMN1; SMN2 Q16637 3/20 0.38
LMNA P02545 2/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2C9 P11712 1/20 0.38
TSHR P16473 1/20 0.38
KDM4E B2RXH2 7/20 0.38
HPGD P15428 5/20 0.38
ALDH1A1 P00352 5/20 0.38
NPSR1 Q6W5P4 3/20 0.38
MAPT P10636 2/20 0.38
HTR6 P50406 1/20 0.37

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
SCHEMBL15849614 0.91 CYP1A2 (0.39) NPC1RAB9ACYP1A2CYP2C19SMN1; SMN2
SCHEMBL8133581 0.83 KDM4E (0.51) NPC1RAB9ACYP1A2CYP2C19SMN1; SMN2
SCHEMBL3374484 0.83 NPC1 (0.41) NPC1RAB9ACYP1A2CYP2C19SMN1; SMN2
SCHEMBL745082 0.81 CYP1A2 (0.43) NPC1RAB9ACYP1A2CYP2C19SMN1; SMN2
SCHEMBL743993 0.81 CYP1A2 (0.44) DYRK1ANPC1RAB9ACYP1A2CYP2C19
SCHEMBL10271446 0.80 CYP1A2 (0.42) NPC1RAB9ACYP1A2CYP2C19SMN1; SMN2
SCHEMBL10220200 0.78 KDM4E (0.41) NPC1RAB9ACYP1A2CYP2C19SMN1; SMN2
SCHEMBL10271289 0.77 KDM4E (0.38) NPC1RAB9ACYP1A2CYP2C19SMN1; SMN2
SCHEMBL8142323 0.74 RAB9A (0.42) NPC1RAB9ACYP1A2CYP2C19SMN1; SMN2
SCHEMBL15178663 0.74 RAB9A (0.42) DYRK1ANPC1RAB9ACYP1A2CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110182854-A1 HCV PROTEASE INHIBITORS SEQUOIA PHARMACEUTICALS, INC. (US) 2011-07-28 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 (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-20110182854-A1 HCV PROTEASE INHIBITORS SERPINB1, CTSC, HPN CYP2D6 1789/4885CLK1 2120/4885CDK5 810/4885

“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.