SCHEMBL4856159

SCHEMBL4856159

COc1ccnc2c(-c3ccc(-c4nc(-c5ccccn5)cn4-c4cccnc4)cc3)cc(C)cc12

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 1/20 0.38
GRM5 P41594 2/20 0.37
NPC1 O15118 2/20 0.35
TUBB4A P04350 3/20 0.35
TUBB P07437 3/20 0.35
TUBA3C P0DPH7 3/20 0.35
TUBA1B P68363 3/20 0.35
TUBA4A P68366 3/20 0.35
TUBB4B P68371 3/20 0.35
TUBB3 Q13509 3/20 0.35
TUBB2A Q13885 3/20 0.35
TUBB8 Q3ZCM7 3/20 0.35
TUBA3E Q6PEY2 3/20 0.35
TUBA1A Q71U36 3/20 0.35
TUBA1C Q9BQE3 3/20 0.35
TUBB6 Q9BUF5 3/20 0.35
TUBB2B Q9BVA1 3/20 0.35
TUBB1 Q9H4B7 3/20 0.35
CYP2A6 P11509 1/20 0.34
MDM2 Q00987 1/20 0.34

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
SCHEMBL4852886 0.81 SLC40A1 (0.40) NPC1SQORRAB9AGRM1TOP1
SCHEMBL4878280 0.76 CYP2A6 (0.40) GRM5NPC1CYP2A6KDM4EMAPT
SCHEMBL4808663 0.74 CYP2A6 (0.54) GRM5NPC1CYP2A6MDM2KDM4E
SCHEMBL4809253 0.73 CYP2A6 (0.40) GRM5NPC1CYP2A6MDM2KDM4E
SCHEMBL4810066 0.72 CYP2A6 (0.45) GRM5NPC1CYP2A6MDM2KDM4E
SCHEMBL4806280 0.72 CYP2A6 (0.42) GRM5NPC1CYP2A6MDM2MAPT
SCHEMBL4874609 0.70 CYP2A6 (0.50) GRM5NPC1CYP2A6MAPTRAB9A
SCHEMBL4811993 0.69 CYP2A6 (0.60) GRM5NPC1CYP2A6MDM2MAPT
SCHEMBL4812854 0.68 MAPT (0.58) KDM4EMAPTRAB9ANPSR1HTT
SCHEMBL4809561 0.68 CYP3A4 (0.52) NPC1CYP2A6LMNARAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080090834-A1 SELECTIVE AZOLE PDE10A INHIBITOR COMPOUNDS PFIZER INC 2008-04-17 US claimed
WO-2008004117-A1 SELECTIVE AZOLE PDE10A INHIBITOR COMPOUNDS PFIZER PRODUCTS INC. (US) 2008-01-10 WO claimed
US-20080090834-A1 SELECTIVE AZOLE PDE10A INHIBITOR COMPOUNDS PFIZER INC 2008-04-17 US disclosed
US-20080090834-A1 SELECTIVE AZOLE PDE10A INHIBITOR COMPOUNDS PFIZER INC 2008-04-17 US disclosed
US-20080090834-A1 SELECTIVE AZOLE PDE10A INHIBITOR COMPOUNDS PFIZER INC 2008-04-17 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-20080090834-A1 SELECTIVE AZOLE PDE10A INHIBITOR COMPOUNDS PDE5A, PDE3B, PDE12 PIK3CD 629/4885GRM5 881/4885NPC1 1779/4885

“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.