SCHEMBL2395512

SCHEMBL2395512

CN1CCN(c2nn(Cc3ccccc3)c3cnc4ccc(Br)cc4c23)CC1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTT P42858 3/20 0.51
▸ HRH4 Q9H3N8 11/20 0.42
▸ ALDH1A1 P00352 3/20 0.41
▸ NPSR1 Q6W5P4 1/20 0.41
▸ LMNA P02545 2/20 0.41
▸ KDM4E B2RXH2 1/20 0.41
▸ MAPT P10636 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ HTR6 P50406 1/20 0.39
▸ APP P05067 1/20 0.39
▸ HRH1 P35367 1/20 0.38
▸ HTR3A P46098 1/20 0.38
▸ USP2 O75604 1/20 0.38
▸ CYP1A2 P05177 1/20 0.38
▸ CYP3A4 P08684 1/20 0.38
▸ CYP2D6 P10635 1/20 0.38
▸ TSHR P16473 1/20 0.38
▸ MAPK1 P28482 1/20 0.38
▸ CYP2C19 P33261 1/20 0.38
▸ HIF1A Q16665 1/20 0.38

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
SCHEMBL2394787 0.89 PKM (0.47) HTTALDH1A1LMNAKDM4EMAPT
SCHEMBL2400997 0.87 HRH4 (0.49) HRH4ALDH1A1LMNAKDM4EMAPT
SCHEMBL1559545 0.81 LMNA (0.42) HTTALDH1A1NPSR1LMNAKDM4E
SCHEMBL1558730 0.78 GAA (0.47) ALDH1A1KDM4EMAPTKMT2AHRH1
SCHEMBL9778483 0.74 HTR6 (0.50) HRH4LMNAKDM4EHTR6HRH1
SCHEMBL12266572 0.73 HTT (0.43) HTTALDH1A1NPSR1LMNAKDM4E
SCHEMBL2396102 0.72 GAA (0.40) ALDH1A1LMNAKMT2AUSP2CYP1A2
SCHEMBL1558176 0.72 RECQL (0.46) HTTALDH1A1LMNAKDM4EMAPT
SCHEMBL18177905 0.69 HTT (0.70) HTTALDH1A1NPSR1LMNAKDM4E
SCHEMBL3497460 0.69 TSHR (0.62) HTTHRH4ALDH1A1NPSR1LMNA

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
US-20110212053-A1 PHOSPHATIDYLINOSITOL 3 KINASE INHIBITORS PROGENICS PHARMACEUTICALS, INC. 2011-09-01 — — 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 (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 HTT 2663/4885HRH4 2545/4885ALDH1A1 4549/4885

“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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