SCHEMBL4784136

SCHEMBL4784136

Clc1ncccc1-c1cnn(Cc2ccccc2)c1

nearest known ligand 0.60

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.60
CREBBP Q92793 11/20 0.53
PDK2 Q15119 1/20 0.49
MAPK1 P28482 1/20 0.48
KDM4E B2RXH2 1/20 0.47
CYP1A2 P05177 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
PIK3CD O00329 1/20 0.46
ADORA2A P29274 1/20 0.46
ADORA1 P30542 1/20 0.46
ALK Q9UM73 1/20 0.46
DYRK1B Q9Y463 1/20 0.44

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
SCHEMBL20601847 0.84 L3MBTL1 (0.44) L3MBTL1CREBBPKDM4ECYP2C9SMN1; SMN2
SCHEMBL20602517 0.78 NAMPT (0.43) L3MBTL1CREBBPPDK2MAPK1KDM4E
SCHEMBL31058725 0.78 NAMPT (0.43) L3MBTL1CREBBPPDK2MAPK1KDM4E
SCHEMBL10094644 0.78 CREBBP (0.69) L3MBTL1CREBBPPDK2PIK3CDADORA2A
SCHEMBL10094636 0.76 L3MBTL1 (0.59) L3MBTL1CREBBPPIK3CDADORA2AADORA1
SCHEMBL19049794 0.76 LRRK2 (0.45) CREBBPPDK2KDM4EPIK3CD
SCHEMBL509619 0.76 BTK (0.49) L3MBTL1CREBBPPDK2SMN1; SMN2ADORA2A
SCHEMBL510899 0.75 BTK (0.58) L3MBTL1CREBBPPDK2ADORA2AADORA1
SCHEMBL10094327 0.74 L3MBTL1 (0.60) L3MBTL1CREBBPPDK2PIK3CDADORA2A
SCHEMBL3289673 0.74 L3MBTL1 (0.56) L3MBTL1CREBBPMAPK1ADORA2AADORA1

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-8822514-B2 Multi-cyclic compounds and methods of use AMGEN INC. (US) 2014-09-02 US disclosed
US-20120245206-A1 MULTI-CYCLIC COMPOUNDS AND METHODS OF USE AMGEN INC. (US) 2012-09-27 US disclosed
US-8236823-B2 Multi-cyclic compounds and methods of use AMGEN INC. (US) 2012-08-07 US disclosed
US-20080255205-A1 protein kinase receptors (like Tie-2 and Aurora) modulators; to treat cancer, inflammation and related disorders; to regulate active angiogenesis, cell-signal transduction; 5-(3-(1H-tetrazol-5-yl)pyridin-2-yloxy)-N-(3-chlorobenzyl)-2-fluorobenzamide AMGEN INC. (US) 2008-10-16 US disclosed
WO-2008057280-A1 MULTI-CYCLIC COMPOUNDS AND METHODS OF USE AMGEN INC. (US) 2008-05-15 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 (2 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-20120245206-A1 MULTI-CYCLIC COMPOUNDS AND METHODS OF USE TIE1, FLT4, CDK1 L3MBTL1 3021/4885CREBBP 1593/4885PDK2 491/4885
US-20080255205-A1 protein kinase receptors (like Tie-2 and Aurora) modulators; to treat cancer, inflammation and related disorders; to regulate active angiogenesis, cell-signal transduction; 5-(3-(1H-tetrazol-5-yl)pyridin-2-yloxy)-N-(3-chlorobenzyl)-2-fluorobenzamide TIE1, AURKB, TEK L3MBTL1 2047/4885CREBBP 1229/4885PDK2 684/4885

“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.