SCHEMBL2754785

SCHEMBL2754785

CC(C)(C)c1cc(-c2ccccn2)ccc1N

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PIK3CD O00329 1/20 0.46
▸ PIK3CA P42336 1/20 0.46
▸ PI4KA P42356 1/20 0.46
▸ PIK3CG P48736 1/20 0.46
▸ PI4KB Q9UBF8 1/20 0.46
▸ TRPV1 Q8NER1 1/20 0.41
▸ CYP1A2 P05177 2/20 0.41
▸ KDM4E B2RXH2 2/20 0.41
▸ LMNA P02545 1/20 0.41
▸ POLB P06746 1/20 0.41
▸ CCR1 P32246 1/20 0.41
▸ CCR5 P51681 1/20 0.41
▸ CCR8 P51685 1/20 0.41
▸ METAP1 P53582 1/20 0.41
▸ BLM P54132 1/20 0.41
▸ HIF1A Q16665 1/20 0.41
▸ DOHH Q9BU89 1/20 0.41
▸ P4HTM Q9NXG6 1/20 0.41
▸ ALOX5AP P20292 2/20 0.40
▸ PDK2 Q15119 1/20 0.40

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
SCHEMBL11124529 0.81 ALDH1A1 (0.46) PIK3CDPIK3CAPI4KAPIK3CGPI4KB
SCHEMBL11341702 0.79 PI4KA (0.53) PIK3CDPIK3CAPI4KAPIK3CGPI4KB
SCHEMBL26424745 0.79 KDM4E (0.45) PIK3CDPIK3CAPI4KAPIK3CGPI4KB
SCHEMBL16792550 0.78 TSHR (0.55) PIK3CDPIK3CAPI4KAPIK3CGPI4KB
SCHEMBL23525619 0.77 TRPV1 (0.41) PIK3CDPIK3CAPI4KAPIK3CGPI4KB
SCHEMBL26426730 0.77 KDM4E (0.47) PIK3CDPIK3CAPI4KAPIK3CGPI4KB
SCHEMBL9158343 0.77 CA2 (0.53) TRPV1CYP1A2KDM4ELMNAPOLB
SCHEMBL2154357 0.76 PGR (0.50) CYP1A2KDM4EPOLBCYP2C9CYP2C19
SCHEMBL279178 0.75 PGR (0.51) KDM4ELMNAALOX5APALOX15HDAC1
SCHEMBL70728 0.75 PIK3CD (0.49) PIK3CDPIK3CAPI4KAPIK3CGPI4KB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8198299-B2 Cycloalkylidene and heterocycloalkylidene inhibitor compounds GILEAD SCIENCES, INC. (US) 2012-06-12 — — US disclosed
US-20120045412-A1 CYCLOALKYLIDENE AND HETEROCYCLOALKYLIDENE INHIBITOR COMPOUNDS GILEAD SCIENCES, INC. (US) 2012-02-23 — — US disclosed
US-8088771-B2 Cycloalkylidene and heterocycloalkylidene inhibitor compounds GILEAD SCIENCES, INC. (US) 2012-01-03 — — US disclosed
US-20100022543-A1 CYCLOALKYLIDENE AND HETEROCYCLOALKYLIDENE INHIBITOR COMPOUNDS GILEAD SCIENCES, INC. 2010-01-28 — — 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-20120045412-A1 CYCLOALKYLIDENE AND HETEROCYCLOALKYLIDENE INHIBITOR COMPOUNDS HDAC1, HDAC11, HDAC2 PIK3CD 1541/4885PIK3CA 1968/4885PI4KA 1555/4885
US-20100022543-A1 CYCLOALKYLIDENE AND HETEROCYCLOALKYLIDENE INHIBITOR COMPOUNDS HDAC1, HDAC11, HDAC2 PIK3CD 1541/4885PIK3CA 1968/4885PI4KA 1555/4885

“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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