SCHEMBL21457779

SCHEMBL21457779

CC(N)(C#N)c1cccnc1

nearest known ligand 0.50

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 4/20 0.47
CYP3A4 P08684 2/20 0.44
LMNA P02545 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP11B1 P15538 1/20 0.44
CYP11B2 P19099 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
CYP3A5 P20815 1/20 0.41
KIF11 P52732 1/20 0.41
POLB P06746 1/20 0.40
KCNA5 P22460 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
SCHEMBL30431325 1.00 CYP19A1 (0.47) CYP19A1CYP3A4LMNACYP1A2CYP11B1
SCHEMBL9770755 0.81 CYP3A4 (0.43) CYP19A1CYP3A4LMNACYP1A2CYP11B1
SCHEMBL24608491 0.81 CYP19A1 (0.50) CYP19A1CYP3A4LMNACYP1A2CYP11B1
SCHEMBL30589181 0.81 CYP19A1 (0.50) CYP19A1CYP3A4LMNACYP1A2CYP11B1
SCHEMBL4196221 0.78 CYP19A1 (0.55) CYP19A1CYP3A4LMNACYP1A2CYP11B1
SCHEMBL29676826 0.78 CYP19A1 (0.55) CYP19A1CYP3A4LMNACYP1A2CYP11B1
SCHEMBL3235238 0.78 CYP19A1 (0.55) CYP19A1CYP3A4LMNACYP1A2CYP11B1
SCHEMBL7614593 0.78 CYP3A4 (0.48) CYP19A1CYP3A4LMNACYP1A2CYP11B1
SCHEMBL30911310 0.76 KCNA5 (0.47) CYP19A1CYP3A4LMNACYP1A2CYP11B1
SCHEMBL27404978 0.76 KCNA5 (0.47) CYP19A1CYP3A4LMNACYP1A2CYP11B1

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-20200062710-A1 Method For Producing 3-(Pyridyl-2-Amino)Propionitrile And Analogues Thereof NIPPON KAYAKU KABUSHIKI KAISHA (JP) 2020-02-27 US disclosed
EP-3553051-A1 METHOD FOR PRODUCING 3-(PYRIDYL-2-AMINO)PROPIONITRILE AND ANALOGUES THEREOF Nippon Kayaku Kabushiki Kaisha (JP) 2019-10-16 EP 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-20200062710-A1 Method For Producing 3-(Pyridyl-2-Amino)Propionitrile And Analogues Thereof PDXK, PAH, PNPO CYP19A1 222/4885CYP3A4 31/4885LMNA 1234/4885

“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.