SCHEMBL16156973

SCHEMBL16156973

CC(=O)Nc1ccc(C2=NNC(=O)C[C@H]2C)cc1Cl

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ PDE3B Q13370 13/20 1.00
▸ PDE3A Q14432 13/20 1.00
▸ SMN1; SMN2 Q16637 3/20 0.56
▸ KDM4E B2RXH2 2/20 0.56
▸ ALDH1A1 P00352 2/20 0.56
▸ PDE4A P27815 2/20 0.52
▸ PDE4B Q07343 2/20 0.52
▸ PDE4C Q08493 2/20 0.52
▸ PDE4D Q08499 2/20 0.52
▸ MAPT P10636 3/20 0.51
▸ GALR3 O60755 2/20 0.51
▸ GPR119 Q8TDV5 2/20 0.48
▸ THRB P10828 1/20 0.47
▸ CYP1A2 P05177 1/20 0.47
▸ CYP3A4 P08684 1/20 0.47
▸ ALOX15 P16050 1/20 0.47
▸ TSHR P16473 1/20 0.47
▸ MAPK1 P28482 1/20 0.47

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
SCHEMBL16157202 1.00 PDE3B (1.00) PDE3BPDE3ASMN1; SMN2KDM4EALDH1A1
SCHEMBL17446923 0.87 PDE3B (0.78) PDE3BPDE3ASMN1; SMN2KDM4EALDH1A1
SCHEMBL10741604 0.87 PDE3B (0.77) PDE3BPDE3ASMN1; SMN2KDM4EALDH1A1
SCHEMBL16156957 0.87 PDE3B (0.77) PDE3BPDE3ASMN1; SMN2KDM4EALDH1A1
SCHEMBL16157001 0.87 PDE3B (0.77) PDE3BPDE3ASMN1; SMN2KDM4EALDH1A1
SCHEMBL16157009 0.86 PDE3B (0.76) PDE3BPDE3ASMN1; SMN2KDM4EALDH1A1
SCHEMBL16156970 0.86 PDE3B (0.76) PDE3BPDE3ASMN1; SMN2KDM4EALDH1A1
SCHEMBL11360455 0.85 PDE3B (0.73) PDE3BPDE3ASMN1; SMN2KDM4EALDH1A1
SCHEMBL16156977 0.83 PDE3B (0.71) PDE3BPDE3ASMN1; SMN2KDM4EALDH1A1
SCHEMBL16156975 0.82 MAPT (0.71) PDE3BPDE3ASMN1; SMN2KDM4EALDH1A1

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2970145-B1 COMPOUNDS AND COMPOSITIONS FOR THE TREATMENT OF CANCER BROAD INST INC (US) 2020-05-06 — — EP disclosed
US-9890127-B2 Compounds and compositions for the treatment of cancer THE BROAD INSTITUTE, INC. (US) 2018-02-13 — — US disclosed
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
US-20160016913-A1 COMPOUNDS AND COMPOSITIONS FOR THE TREATMENT OF CANCER THE BROAD INSTITUTE, INC. (US) 2016-01-21 — — US disclosed
WO-2014164704-A2 COMPOUNDS AND COMPOSITIONS FOR THE TREATMENT OF CANCER THE BROAD INSTITUTE, INC. (US) 2014-10-09 — — 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-20160016913-A1 COMPOUNDS AND COMPOSITIONS FOR THE TREATMENT OF CANCER TP53, RB1, CDK4 PDE3B 2667/4885PDE3A 2661/4885SMN1; SMN2 3132/4885

“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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