SCHEMBL17446940

SCHEMBL17446940

C=C1C[C@@H](C)C(c2ccc(N3CCOCC3)cc2)=NN1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDE3B Q13370 13/20 0.73
▸ PDE3A Q14432 13/20 0.73
▸ GPR119 Q8TDV5 3/20 0.47
▸ KDM4E B2RXH2 3/20 0.42
▸ ALDH1A1 P00352 3/20 0.42
▸ MAPT P10636 3/20 0.42
▸ HPGD P15428 2/20 0.42
▸ CYP2C9 P11712 1/20 0.42
▸ GFER P55789 1/20 0.42
▸ PDE4A P27815 1/20 0.42
▸ PDE4B Q07343 1/20 0.42
▸ PDE4C Q08493 1/20 0.42
▸ PDE4D Q08499 1/20 0.42
▸ PDE2A O00408 1/20 0.41
▸ PDE1A P54750 1/20 0.41
▸ PDE1B Q01064 1/20 0.41
▸ PDE1C Q14123 1/20 0.41
▸ MEN1 O00255 1/20 0.38
▸ USP2 O75604 1/20 0.38
▸ TP53 P04637 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
SCHEMBL17446952 1.00 PDE3B (0.73) PDE3BPDE3AGPR119KDM4EALDH1A1
SCHEMBL17446950 0.88 PDE3B (0.56) PDE3BPDE3AGPR119KDM4EALDH1A1
SCHEMBL17446951 0.87 PDE3B (0.73) PDE3BPDE3AKDM4EALDH1A1MAPT
SCHEMBL16156966 0.84 PDE3B (1.00) PDE3BPDE3AGPR119KDM4EALDH1A1
SCHEMBL16156997 0.84 PDE3B (1.00) PDE3BPDE3AGPR119KDM4EALDH1A1
SCHEMBL16157210 0.84 PDE3B (1.00) PDE3BPDE3AGPR119KDM4EALDH1A1
SCHEMBL17446946 0.84 PDE3B (0.58) PDE3BPDE3AGPR119MAPTSMN1; SMN2
SCHEMBL17446926 0.83 PDE3B (0.76) PDE3BPDE3AGPR119ALDH1A1HPGD
SCHEMBL17446925 0.83 PDE3B (0.76) PDE3BPDE3AGPR119ALDH1A1HPGD
SCHEMBL17446973 0.78 PDE3B (0.52) PDE3BPDE3AKDM4EALDH1A1MAPT

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-9890127-B2 Compounds and compositions for the treatment of cancer THE BROAD INSTITUTE, INC. (US) 2018-02-13 — — US disclosed
US-20160016913-A1 COMPOUNDS AND COMPOSITIONS FOR THE TREATMENT OF CANCER THE BROAD INSTITUTE, INC. (US) 2016-01-21 — — 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-20160016913-A1 COMPOUNDS AND COMPOSITIONS FOR THE TREATMENT OF CANCER TP53, RB1, CDK4 PDE3B 2667/4885PDE3A 2661/4885GPR119 2110/4885

“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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