SCHEMBL2400997

SCHEMBL2400997

CN1CCN(c2nn(Cc3ccccc3)c3cnc4ccccc4c23)CC1

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ HRH4 Q9H3N8 8/20 0.49
▸ HTR3E A5X5Y0 1/20 0.47
▸ HTR3B O95264 1/20 0.47
▸ HTR3A P46098 1/20 0.47
▸ HTR3D Q70Z44 1/20 0.47
▸ HTR3C Q8WXA8 1/20 0.47
▸ HRH1 P35367 1/20 0.45
▸ LMNA P02545 3/20 0.43
▸ KDM4E B2RXH2 2/20 0.43
▸ ALDH1A1 P00352 2/20 0.43
▸ MAPT P10636 1/20 0.43
▸ HPGD P15428 1/20 0.43
▸ ACHE P22303 1/20 0.43
▸ TSHR P16473 1/20 0.43
▸ MAPK1 P28482 1/20 0.43
▸ HTR6 P50406 1/20 0.43

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
SCHEMBL2395512 0.87 HTT (0.51) HRH4HTR3AHRH1LMNAKDM4E
SCHEMBL9778483 0.81 HTR6 (0.50) HRH4HTR3EHTR3BHTR3AHTR3D
SCHEMBL1558730 0.76 GAA (0.47) HRH1KDM4EALDH1A1MAPTHPGD
SCHEMBL2394787 0.76 PKM (0.47) LMNAKDM4EALDH1A1MAPTHPGD
SCHEMBL2396102 0.71 GAA (0.40) LMNAALDH1A1TSHRMAPK1
SCHEMBL2395048 0.69 HRH4 (0.55) HRH4HTR3EHTR3BHTR3AHTR3D
SCHEMBL12844776 0.67 HRH4 (1.00) HRH4HTR3EHTR3BHTR3AHTR3D
SCHEMBL9854851 0.66 HTR3E (0.48) HRH4HTR3EHTR3BHTR3AHTR3D
SCHEMBL2641012 0.66 CFTR (0.56) HRH4HTR3EHTR3BHTR3AHTR3D
Hydrochloric Acid SCHEMBL9778330 0.65 HTR6 (0.47) HRH4HTR3EHTR3BHTR3AHTR3D

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-20110212053-A1 PHOSPHATIDYLINOSITOL 3 KINASE INHIBITORS PROGENICS PHARMACEUTICALS, INC. 2011-09-01 — — US disclosed
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 2545/4885HTR3E 2242/4885HTR3B 1737/4885

“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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