SCHEMBL17446950

SCHEMBL17446950

C=C1C[C@@H](C)C(c2ccc(N3CCCCC3)cc2)=NN1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDE3B Q13370 9/20 0.56
▸ PDE3A Q14432 9/20 0.56
▸ GPR119 Q8TDV5 2/20 0.44
▸ HRH3 Q9Y5N1 5/20 0.43
▸ KDM4E B2RXH2 1/20 0.43
▸ ALDH1A1 P00352 1/20 0.43
▸ MAPT P10636 1/20 0.43
▸ CYP2C9 P11712 1/20 0.43
▸ HPGD P15428 1/20 0.43
▸ GFER P55789 1/20 0.43
▸ PDE4A P27815 1/20 0.43
▸ PDE4B Q07343 1/20 0.43
▸ PDE4C Q08493 1/20 0.43
▸ PDE4D Q08499 1/20 0.43
▸ PDE2A O00408 1/20 0.41
▸ PDE1A P54750 1/20 0.41
▸ PDE1B Q01064 1/20 0.41
▸ PDE1C Q14123 1/20 0.41
▸ KCNH2 Q12809 1/20 0.38
▸ BRD4 O60885 1/20 0.37

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 0.88 PDE3B (0.73) PDE3BPDE3AGPR119KDM4EALDH1A1
SCHEMBL17446940 0.88 PDE3B (0.73) PDE3BPDE3AGPR119KDM4EALDH1A1
SCHEMBL17446951 0.88 PDE3B (0.73) PDE3BPDE3AHRH3KDM4EALDH1A1
SCHEMBL16156987 0.84 PDE3B (0.79) PDE3BPDE3AGPR119HRH3KDM4E
SCHEMBL17446973 0.80 PDE3B (0.52) PDE3BPDE3AHRH3KDM4EALDH1A1
SCHEMBL17446919 0.79 PDE3B (0.46) PDE3BPDE3AGPR119HRH3PDE4A
SCHEMBL17446935 0.79 PDE3B (0.48) PDE3BPDE3AHRH3ALDH1A1PDE4A
SCHEMBL17446955 0.78 PDE3B (0.43) PDE3BPDE3AMAPTPDE4APDE4B
SCHEMBL17446937 0.77 PDE3B (0.42) PDE3BPDE3AKDM4EALDH1A1MAPT
SCHEMBL17446924 0.77 PDE3B (0.48) PDE3BPDE3AGPR119PDE4APDE4B

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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