SCHEMBL17446935

SCHEMBL17446935

C=C1C[C@@H](C)C(c2ccc(N3CCCC3=O)cc2)=NN1

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ PDE3B Q13370 6/20 0.48
▸ PDE3A Q14432 6/20 0.48
▸ PDE2A O00408 1/20 0.45
▸ PDE1A P54750 1/20 0.45
▸ PDE1B Q01064 1/20 0.45
▸ PDE1C Q14123 1/20 0.45
▸ PDE4A P27815 1/20 0.44
▸ PDE4B Q07343 1/20 0.44
▸ PDE4C Q08493 1/20 0.44
▸ PDE4D Q08499 1/20 0.44
▸ AKR1C3 P42330 6/20 0.42
▸ ALDH1A1 P00352 1/20 0.41
▸ HRH3 Q9Y5N1 4/20 0.40
▸ KCNH2 Q12809 1/20 0.40
▸ NPC1 O15118 1/20 0.39
▸ TSHR P16473 1/20 0.39
▸ RAB9A P51151 1/20 0.39

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
SCHEMBL10368593 0.88 PDE3B (0.62) PDE3BPDE3APDE2APDE1APDE1B
SCHEMBL16157003 0.88 PDE3B (0.62) PDE3BPDE3APDE2APDE1APDE1B
SCHEMBL16157010 0.84 PDE3B (0.61) PDE3BPDE3APDE2APDE1APDE1B
SCHEMBL10888967 0.79 AKR1C3 (0.44) PDE3BPDE3APDE4APDE4BPDE4C
SCHEMBL17446950 0.79 PDE3B (0.56) PDE3BPDE3APDE2APDE1APDE1B
SCHEMBL17446952 0.75 PDE3B (0.73) PDE3BPDE3APDE2APDE1APDE1B
SCHEMBL17446940 0.75 PDE3B (0.73) PDE3BPDE3APDE2APDE1APDE1B
SCHEMBL17446951 0.75 PDE3B (0.73) PDE3BPDE3APDE2APDE1APDE1B
SCHEMBL17446973 0.75 PDE3B (0.52) PDE3BPDE3APDE2APDE1APDE1B
SCHEMBL17446919 0.74 PDE3B (0.46) PDE3BPDE3APDE2APDE1APDE1B

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 2661/4885PDE2A 3001/4885

“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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