SCHEMBL19656766

SCHEMBL19656766

CC1CNN=C1c1ccc(Cl)c(Cl)c1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDE3B Q13370 3/20 0.64
▸ PDE3A Q14432 3/20 0.64
▸ PGR P06401 3/20 0.45
▸ AHR P35869 3/20 0.42
▸ NPC1 O15118 2/20 0.39
▸ RAB9A P51151 2/20 0.39
▸ NOTUM Q6P988 1/20 0.38
▸ PDE4A P27815 1/20 0.38
▸ PDE4B Q07343 1/20 0.38
▸ PDE4C Q08493 1/20 0.38
▸ PDE4D Q08499 1/20 0.38
▸ CYP1B1 Q16678 1/20 0.37
▸ SLC6A2 P23975 1/20 0.37
▸ SLC6A4 P31645 1/20 0.37
▸ SLC6A3 Q01959 1/20 0.37
▸ IKBKB O14920 2/20 0.36
▸ KDM4E B2RXH2 1/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ POLB P06746 1/20 0.36

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
SCHEMBL19656773 0.87 PDE3B (0.50) PDE3BPDE3APGRPDE4APDE4B
SCHEMBL9859567 0.81 PDE3B (0.42) PDE3BPDE3APGRPDE4APDE4B
SCHEMBL11534914 0.79 GPR119 (0.47) PDE3BPDE3APGRNOTUMKDM4E
SCHEMBL17446931 0.78 PDE3B (0.70) PDE3BPDE3APGRPDE4APDE4B
SCHEMBL16156959 0.78 PDE3B (1.00) PDE3BPDE3APDE4APDE4BPDE4C
SCHEMBL23937285 0.75 PDE3B (0.55) PDE3BPDE3APGRAHRNPC1
SCHEMBL11530327 0.74 PDE3B (0.45) PDE3BPDE3APDE4APDE4BPDE4C
SCHEMBL17823371 0.73 PDE3B (0.46) PDE3BPDE3APGRSLC6A3
SCHEMBL17823412 0.73 PDE3B (0.46) PDE3BPDE3APGRNPC1RAB9A
SCHEMBL11535297 0.72 ALDH1A1 (0.41) PDE3BPDE3ANPC1RAB9APDE4A

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-10023539-B2 Aryl-cyanoguanidine compounds BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2018-07-17 — — US disclosed
US-20170342034-A1 NOVEL ARYL-CYANOGUANIDINE COMPOUNDS BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2017-11-30 — — 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 (2 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-10023539-B2 Aryl-cyanoguanidine compounds SMYD2, SETD2, SMYD3 PDE3B 1453/4885PDE3A 967/4885PGR 3675/4885
US-20170342034-A1 NOVEL ARYL-CYANOGUANIDINE COMPOUNDS SMYD2, SETD2, SMYD3 PDE3B 1419/4885PDE3A 1016/4885PGR 3685/4885

“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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