SCHEMBL14815494

SCHEMBL14815494

O=C1N(Cc2ccc(C(F)(F)F)cc2)CC[C@@H]2CC[C@H](Oc3cnc(C4CC4)cn3)N12

nearest known ligand 0.37

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ PIK3CA P42336 9/20 0.37
▸ PRKAA2 P54646 9/20 0.37
▸ JAK2 O60674 1/20 0.36
▸ JAK1 P23458 1/20 0.36
▸ HDAC1 Q13547 1/20 0.34
▸ FKBP1A P62942 2/20 0.34
▸ HCRTR2 O43614 1/20 0.33
▸ TEAD1 P28347 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33

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
SCHEMBL14815165 1.00 PIK3CA (0.37) PIK3CAPRKAA2JAK2JAK1HDAC1
SCHEMBL14815366 0.90 DRD2 (0.40) HCRTR2KDM4EALDH1A1
SCHEMBL14815418 0.90 DRD2 (0.40) HCRTR2KDM4EALDH1A1
SCHEMBL14815185 0.81 KDM4E (0.38) KDM4EALDH1A1
SCHEMBL14815375 0.81 KDM4E (0.38) KDM4EALDH1A1
SCHEMBL14815461 0.74 LIPE (0.41) PIK3CAPRKAA2
SCHEMBL14815383 0.74 TNF (0.34) HCRTR2
SCHEMBL14815484 0.74 TNF (0.34) HCRTR2
SCHEMBL14815276 0.73 LIPE (0.38) PIK3CAPRKAA2
SCHEMBL14814788 0.73 LIPE (0.38) PIK3CAPRKAA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130085142-A1 SUBSTITUTED OCTAHYDROPYRROLO[1,2-a]PYRAZINES AS CALCIUM CHANNEL BLOCKERS ABBVIE INC. (US) 2013-04-04 — — US claimed

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-20130085142-A1 SUBSTITUTED OCTAHYDROPYRROLO[1,2-a]PYRAZINES AS CALCIUM CHANNEL BLOCKERS CACNA1C, CACNA1E, CACNA1D PIK3CA 3527/4885PRKAA2 3224/4885JAK2 1864/4885

“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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