SCHEMBL12705453

SCHEMBL12705453

CC(C)[C@@H]1CC[C@@H](O)c2ccccc21

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ PRCP P42785 1/20 0.39
▸ NPC1 O15118 1/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.38
▸ POLL Q9UGP5 1/20 0.33
▸ HTR2A P28223 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ CYP2D6 P10635 1/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ RECQL P46063 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ OPRL1 P41146 1/20 0.31
▸ KCNH2 Q12809 1/20 0.31

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
SCHEMBL12751050 1.00 PRCP (0.39) PRCPNPC1L3MBTL1POLLHTR2A
SCHEMBL10560526 0.89 PRCP (0.41) PRCPNPC1L3MBTL1HTR2AKDM4E
SCHEMBL25674494 0.83 PRCP (0.37) PRCPNPC1L3MBTL1HTR2AKDM4E
SCHEMBL20982235 0.83 PRCP (0.37) PRCPNPC1L3MBTL1HTR2AKDM4E
SCHEMBL24819930 0.83 PRCP (0.37) PRCPNPC1L3MBTL1HTR2AKDM4E
SCHEMBL24819937 0.83 PRCP (0.37) PRCPNPC1L3MBTL1HTR2AKDM4E
SCHEMBL25674496 0.83 PRCP (0.37) PRCPNPC1L3MBTL1HTR2AKDM4E
SCHEMBL14592022 0.82 MEN1 (0.41) POLLCYP2D6MEN1RECQLKMT2A
SCHEMBL30290975 0.82 MEN1 (0.41) POLLCYP2D6MEN1RECQLKMT2A
SCHEMBL5206019 0.82 MEN1 (0.41) POLLCYP2D6MEN1RECQLKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7919490-B2 6-substituted 2-(benzimidazolyl)purine or purinones and 6-substituted 2-(imidazolo[4,5-c]pyridinyl)purine or purinones; Jak3 tyrosine kinase inhibitors; autoimmune and mast cell-mediated diseases, transplant rejection; antiinflammatory agents WYETH LLC (US) 2011-04-05 — — US disclosed
US-7915268-B2 And 8-substituted 2-(imidazolo[4,5-c]pyridinyl)purines; Janus kinase 3 inhibitors; autoimmune diseases, inflammatory disease, mast cell mediated disease and transplant rejection WYETH LLC (US) 2011-03-29 — — US disclosed
US-7902187-B2 6-substituted 2-(benzimidazolyl)purine and purinone derivatives for immunosuppression WYETH LLC (US) 2011-03-08 — — US disclosed
US-7884109-B2 immunosuppressants such as 2-(6-Fluoro-1H-benzo[d]imidazol-1-yl)-9-((1R,4R)-4-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl)-7H-purin-8(9H)-one, used for the prevention and treatment of autoimmune diseases, inflammatory disease, mast cell mediated disease and transplant rejection WYETH LLC (US) 2011-02-08 — — US disclosed
US-20090069289-A1 6-SUBSTITUTED 2-(BENZIMIDAZOLYL)PURINE AND PURINONE DERIVATIVES FOR IMMUNOSUPPRESSION PHARMACOPEIA, INC. (US) 2009-03-12 — — US disclosed
US-20080287468-A1 PURINE AND IMIDAZOPYRIDINE DERIVATIVES FOR IMMUNOSUPPRESSION PHARMACOPEIA, INC. (US) 2008-11-20 — — US disclosed
US-20080214580-A1 6-SUBSTITUTED 2-(BENZIMIDAZOLYL)PURINE AND PURINONE DERIVATIVES FOR IMMUNOSUPPRESSION PHARMACOPEIA, INC. (US) 2008-09-04 — — US disclosed
US-20080085898-A1 8-SUBSTITUTED 2-(BENZIMIDAZOLYL)PURINE DERIVATIVES FOR IMMUNOSUPPRESSION PHARMACOPEIA, INC. (US) 2008-04-10 — — 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 (4 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-20080085898-A1 8-SUBSTITUTED 2-(BENZIMIDAZOLYL)PURINE DERIVATIVES FOR IMMUNOSUPPRESSION TPMT, KIT, ADORA2A PRCP 1512/4885NPC1 1527/4885L3MBTL1 2966/4885
US-20090069289-A1 6-SUBSTITUTED 2-(BENZIMIDAZOLYL)PURINE AND PURINONE DERIVATIVES FOR IMMUNOSUPPRESSION P2RY6, P2RY1, P2RX6 PRCP 1752/4885NPC1 2782/4885L3MBTL1 4283/4885
US-20080214580-A1 6-SUBSTITUTED 2-(BENZIMIDAZOLYL)PURINE AND PURINONE DERIVATIVES FOR IMMUNOSUPPRESSION P2RY6, P2RY1, P2RX6 PRCP 1752/4885NPC1 2782/4885L3MBTL1 4283/4885
US-20080287468-A1 PURINE AND IMIDAZOPYRIDINE DERIVATIVES FOR IMMUNOSUPPRESSION TPMT, P2RY4, P2RY1 PRCP 641/4885NPC1 1983/4885L3MBTL1 4292/4885

“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.

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