SCHEMBL2395048

SCHEMBL2395048

CN1CCN(c2n[nH]c3cnc4ccccc4c23)CC1

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ HRH4 Q9H3N8 5/20 0.55
▸ HTR3A P46098 5/20 0.49
▸ HTR3E A5X5Y0 2/20 0.49
▸ HTR3B O95264 2/20 0.49
▸ HTR3D Q70Z44 2/20 0.49
▸ HTR3C Q8WXA8 2/20 0.49
▸ HTR6 P50406 1/20 0.46
▸ ROCK2 O75116 1/20 0.45
▸ KDM4E B2RXH2 3/20 0.44
▸ ALDH1A1 P00352 3/20 0.44
▸ LMNA P02545 1/20 0.44
▸ TSHR P16473 1/20 0.44
▸ MAPK1 P28482 1/20 0.44
▸ HTT P42858 1/20 0.44
▸ MEN1 O00255 1/20 0.44
▸ RAB9A P51151 1/20 0.44
▸ KMT2A Q03164 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
SCHEMBL1545498 0.77 CDC7 (0.53) HRH4HTR3AHTR3EHTR3BHTR3D
SCHEMBL12844776 0.71 HRH4 (1.00) HRH4HTR3AHTR3EHTR3BHTR3D
SCHEMBL2400997 0.69 HRH4 (0.49) HRH4HTR3AHTR3EHTR3BHTR3D
SCHEMBL13720770 0.69 HTR3A (0.53) HRH4HTR3AHTR3EHTR3BHTR3D
SCHEMBL17034857 0.69 HTR3E (0.68) HRH4HTR3AHTR3EHTR3BHTR3D
SCHEMBL1557547 0.68 PRKDC (0.48) KDM4EALDH1A1MAPK1HTTMEN1
SCHEMBL13362122 0.67 PRKDC (0.44) KDM4EALDH1A1MAPK1MEN1KMT2A
SCHEMBL4785556 0.67 AXL (0.50) HRH4KDM4EALDH1A1MAPK1KMT2A
SCHEMBL30833725 0.67 AXL (0.50) HRH4KDM4EALDH1A1MAPK1KMT2A
SCHEMBL9778496 0.67 HTR2A (0.52) HRH4HTR3AHTR3EHTR3BHTR3D

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110212053-A1 PHOSPHATIDYLINOSITOL 3 KINASE INHIBITORS PROGENICS PHARMACEUTICALS, INC. 2011-09-01 — — US disclosed
WO-2009155527-A9 PHOSPHATIDYLINOSITOL 3 KINASE INHIBITORS PROGENICS PHARMACEUTICALS, INC. (US) 2010-05-06 — — 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-20110212053-A1 PHOSPHATIDYLINOSITOL 3 KINASE INHIBITORS PIK3CA, AKT1, PIK3R5 HRH4 2545/4885HTR3A 1918/4885HTR3E 2242/4885

“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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