SCHEMBL10095067

SCHEMBL10095067

CC(C)(C)OC(=O)N1CCc2[nH]nc(-c3ccccc3)c2C1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 2/20 0.67
CREBBP Q92793 2/20 0.67
MAPK1 P28482 2/20 0.56
NPC1 O15118 1/20 0.48
CKS1B P61024 2/20 0.47
SKP1 P63208 2/20 0.47
SKP2 Q13309 2/20 0.47
P2RX7 Q99572 3/20 0.47
EP300 Q09472 1/20 0.47
LMNA P02545 1/20 0.45
MAPK10 P53779 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
SCHEMBL10211781 0.90 MAPK1 (0.55) BRD4CREBBPMAPK1NPC1P2RX7
SCHEMBL5720826 0.90 BRD4 (0.55) BRD4CREBBPMAPK1CKS1BSKP1
SCHEMBL4712216 0.89 MAPK1 (0.56) BRD4CREBBPMAPK1NPC1
SCHEMBL4762437 0.89 MAPK1 (0.72) BRD4CREBBPMAPK1NPC1P2RX7
SCHEMBL2975661 0.89 MAPK1 (0.56) BRD4CREBBPMAPK1NPC1
SCHEMBL17877210 0.87 CREBBP (0.71) BRD4CREBBPMAPK1NPC1P2RX7
SCHEMBL2977256 0.87 MAPK1 (0.57) BRD4CREBBPMAPK1NPC1P2RX7
SCHEMBL12298810 0.84 BRD4 (0.47) BRD4CREBBPMAPK1NPC1P2RX7
SCHEMBL1336775 0.84 MAPK1 (0.56) BRD4CREBBPMAPK1NPC1EP300
SCHEMBL17868242 0.84 BRD4 (0.66) BRD4CREBBPMAPK1NPC1P2RX7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170210751-A1 PRMT5 INHIBITORS AND USES THEREOF Epizyme, Inc. (US) 2017-07-27 US disclosed
US-20170210751-A1 PRMT5 INHIBITORS AND USES THEREOF Epizyme, Inc. (US) 2017-07-27 US disclosed
US-20170210751-A1 PRMT5 INHIBITORS AND USES THEREOF Epizyme, Inc. (US) 2017-07-27 US disclosed
EP-3160466-A2 PRMT5 INHIBITORS AND USES THEREOF Epizyme, Inc. (US) 2017-05-03 EP disclosed
WO-2015200677-A2 PRMT5 INHIBITORS AND USES THEREOF Epizyme, Inc. (US) 2015-12-30 WO disclosed
WO-2015200677-A2 PRMT5 INHIBITORS AND USES THEREOF Epizyme, Inc. (US) 2015-12-30 WO disclosed
US-8124615-B2 Diketo substituted pyrrolo[2,3-C]pyridines BRISTOL-MYERS SQUIBB COMPANY (US) 2012-02-28 US disclosed
US-20110212971-A1 DIKETO FUSED AZOLOPIPERIDINES AND AZOLOPIPERAZINES AS ANTI-HIV AGENTS BRISTOL-MYERS SQUIBB COMPANY 2011-09-01 US disclosed
US-7960406-B2 Diketo substituted pyrrolo[2,3-c] pyridines BRISTOL-MYERS SQUIBB COMPANY (US) 2011-06-14 US disclosed
US-20100009993-A1 Diketo Fused Azolopiperidines and Azolopiperazines as Anti-HIV Agents BRISTOL-MYERS SQUIBB COMPANY 2010-01-14 US disclosed
WO-2009158394-A1 DIKETO AZOLOPIPERIDINES AND AZOLOPIPERAZINES AS ANTI-HIV AGENTS BRISTOL-MYERS SQUIBB COMPANY (US) 2009-12-30 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 (3 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-20110212971-A1 DIKETO FUSED AZOLOPIPERIDINES AND AZOLOPIPERAZINES AS ANTI-HIV AGENTS DHFR, DHPS, DCK BRD4 541/4885CREBBP 2869/4885MAPK1 3857/4885
US-20100009993-A1 Diketo Fused Azolopiperidines and Azolopiperazines as Anti-HIV Agents DHFR, DHPS, DCK BRD4 541/4885CREBBP 2869/4885MAPK1 3857/4885
US-20170210751-A1 PRMT5 INHIBITORS AND USES THEREOF PRMT5, PRMT1, PRMT6 BRD4 122/4885CREBBP 1385/4885MAPK1 936/4885

“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.