SCHEMBL3950754

SCHEMBL3950754

CC(CN1CCOCC1)Nc1nc(Br)cnc1N

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ MAPK1 P28482 2/20 0.38
▸ KDM4E B2RXH2 1/20 0.37
▸ ALDH1A1 P00352 1/20 0.37
▸ ALOX12 P18054 1/20 0.37
▸ NPSR1 Q6W5P4 1/20 0.37
▸ L3MBTL1 Q9Y468 1/20 0.37
▸ CTSK P43235 1/20 0.37
▸ MCHR1 Q99705 1/20 0.37
▸ TSHR P16473 3/20 0.36
▸ USP2 O75604 1/20 0.36
▸ LRRK2 Q5S007 3/20 0.36
▸ P2RX3 P56373 1/20 0.35
▸ P2RX2 Q9UBL9 1/20 0.35
▸ KMT2A Q03164 2/20 0.35
▸ HDAC4 P56524 1/20 0.34
▸ HDAC6 Q9UBN7 1/20 0.34
▸ MAP3K8 P41279 2/20 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
SCHEMBL3951404 0.76 TOP2A (0.45) KDM4EALDH1A1TSHRP2RX3P2RX2
SCHEMBL20607670 0.72 TLR8 (0.47) KMT2A
SCHEMBL3953434 0.71 LMNA (0.47) ALDH1A1L3MBTL1CTSKKMT2A
SCHEMBL20607669 0.71 CDK1 (0.35) —
SCHEMBL482150 0.70 KMT2A (0.40) ALDH1A1MCHR1USP2LRRK2KMT2A
SCHEMBL3018852 0.68 CRHR1 (0.38) —
SCHEMBL29390857 0.68 IGF1R (0.57) MAPK1KDM4ETSHRKMT2A
SCHEMBL28610329 0.68 IGF1R (0.57) MAPK1KDM4ETSHRKMT2A
SCHEMBL482137 0.67 CYP1A2 (0.38) KDM4EALDH1A1ALOX12NPSR1L3MBTL1
SCHEMBL975801 0.67 CYP1A2 (0.38) KDM4EALDH1A1ALOX12NPSR1L3MBTL1

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
EP-2457913-B1 Heteroaryl compounds, compositions thereof, and methods of treatment therewith SIGNAL PHARM LLC (US) 2017-04-19 — — EP disclosed
EP-2090577-B1 Heteroaryl compounds, compositions thereof, and their use as protein kinase inhibitors SIGNAL PHARM LLC (US) 2017-04-05 — — EP disclosed
US-8372976-B2 Methods of treatment comprising the administration of heteroaryl compounds SIGNAL PHARMACEUTICALS, LLC (US) 2013-02-12 — — US disclosed
EP-2457913-A2 Heteroaryl compounds, compositions thereof, and methods of treatment therewith Signal Pharmaceuticals LLC (US) 2012-05-30 — — EP disclosed
EP-2090577-A2 Heteroaryl compounds, compositions thereof, and their use as protein kinase inhibitors Signal Pharmaceuticals LLC (US) 2009-08-19 — — EP disclosed
EP-2078016-A2 HETEROARYL COMPOUNDS, COMPOSITIONS THEREOF, AND METHODS OF TREATMENT THEREWITH Signal Pharmaceuticals LLC (US) 2009-07-15 — — EP disclosed
US-20090023724-A1 Heteroaryl compounds, compositions thereof, and methods of treatment therewith SIGNAL PHARMACEUTICALS, LLC 2009-01-22 — — US disclosed
WO-2008051493-A2 HETEROARYL COMPOUNDS, COMPOSITIONS THEREOF, AND THEIR USE AS PROTEIN KINASE INHIBITORS SIGNAL PHARMACEUTICALS, LLC (US) 2008-05-02 — — 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-20090023724-A1 Heteroaryl compounds, compositions thereof, and methods of treatment therewith JAK2, PHKG1, PHKG2 MAPK1 368/4885KDM4E 2113/4885ALDH1A1 1934/4885

“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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