SCHEMBL15601773

SCHEMBL15601773

O=C(CCN1CCOCC1)n1ccc2ccccc21

nearest known ligand 0.57

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.52
▸ MAPT P10636 3/20 0.52
▸ KMT2A Q03164 3/20 0.52
▸ HTR7 P34969 2/20 0.50
▸ LMNA P02545 3/20 0.49
▸ CYP2C19 P33261 1/20 0.49
▸ HTT P42858 1/20 0.47
▸ USP2 O75604 1/20 0.46
▸ POLB P06746 1/20 0.46
▸ MAPK1 P28482 1/20 0.46
▸ HSP90AA1 P07900 1/20 0.46
▸ CNR1 P21554 2/20 0.46
▸ NOTUM Q6P988 1/20 0.45
▸ MEN1 O00255 1/20 0.45
▸ CNR2 P34972 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
SCHEMBL12123607 0.86 SIGMAR1 (0.54) ALDH1A1KMT2AHTR7POLBNOTUM
SCHEMBL30641074 0.75 CDK4 (0.67) ALDH1A1MAPTLMNAHTTUSP2
SCHEMBL4320923 0.75 CDK4 (0.67) ALDH1A1MAPTLMNAHTTUSP2
SCHEMBL5070937 0.75 NOTUM (0.58) KMT2ALMNAMAPK1NOTUM
SCHEMBL16897912 0.74 ALDH1A1 (0.47) ALDH1A1KMT2APOLBMAPK1NOTUM
SCHEMBL30452423 0.73 NOTUM (0.61) KMT2ALMNAMAPK1NOTUM
SCHEMBL3004386 0.73 NOTUM (0.61) KMT2ALMNAMAPK1NOTUM
SCHEMBL10836168 0.73 NOTUM (0.56) KMT2ALMNAMAPK1NOTUM
SCHEMBL12605565 0.71 CDK4 (0.67) ALDH1A1MAPTLMNAUSP2POLB
SCHEMBL4334478 0.71 CDK4 (0.67) ALDH1A1MAPTLMNAUSP2POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150290200-A1 INTRACELLULAR KINASE INHIBITORS PHARMACYCLICS INC (US) 2015-10-15 — — US disclosed
EP-2865381-A1 ITK inhibitors for treating blood cell malignancies Pharmacyclics, Inc. (US) 2015-04-29 — — EP disclosed
US-20140080833-A1 INTRACELLULAR KINASE INHIBITORS MANNKIND CORPORATION (US) 2014-03-20 — — 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 (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-20150290200-A1 INTRACELLULAR KINASE INHIBITORS PI4KB, BTK, LTK ALDH1A1 4370/4885MAPT 3284/4885KMT2A 1458/4885
US-20140080833-A1 INTRACELLULAR KINASE INHIBITORS PI4KB, BTK, LTK ALDH1A1 4370/4885MAPT 3284/4885KMT2A 1458/4885

“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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