SCHEMBL25873499

SCHEMBL25873499

Cc1nc(C#N)c([N+](=O)[O-])cc1OCCCN1CCOCC1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 1/20 0.56
▸ CYP2D6 P10635 1/20 0.56
▸ CYP2C19 P33261 1/20 0.56
▸ KDM4E B2RXH2 4/20 0.56
▸ ALDH1A1 P00352 4/20 0.56
▸ SMN1; SMN2 Q16637 3/20 0.56
▸ NPC1 O15118 2/20 0.56
▸ RAB9A P51151 2/20 0.56
▸ KMT2A Q03164 2/20 0.44
▸ HRH2 P25021 1/20 0.42
▸ HRH1 P35367 1/20 0.42
▸ HRH3 Q9Y5N1 1/20 0.42
▸ SRC P12931 1/20 0.42
▸ MAPT P10636 2/20 0.41
▸ HTR1A P08908 1/20 0.41
▸ NPSR1 Q6W5P4 1/20 0.41
▸ POLB P06746 2/20 0.41
▸ MEN1 O00255 1/20 0.41
▸ CHEK1 O14757 2/20 0.41
▸ PKM P14618 1/20 0.41

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
SCHEMBL30946649 0.88 CYP2D6 (0.54) CYP1A2CYP2D6CYP2C19KDM4EALDH1A1
SCHEMBL21199087 0.88 CYP2D6 (0.54) CYP1A2CYP2D6CYP2C19KDM4EALDH1A1
SCHEMBL25873500 0.85 CYP2D6 (0.58) CYP1A2CYP2D6CYP2C19KDM4EALDH1A1
SCHEMBL25873496 0.82 KDM4E (0.59) CYP1A2CYP2D6CYP2C19KDM4EALDH1A1
SCHEMBL17921471 0.81 CYP1A2 (0.58) CYP1A2CYP2D6CYP2C19KDM4EALDH1A1
SCHEMBL3280339 0.79 CYP2D6 (0.56) CYP1A2CYP2D6CYP2C19KDM4EALDH1A1
SCHEMBL14421398 0.79 CYP2D6 (0.56) CYP1A2CYP2D6CYP2C19KDM4EALDH1A1
SCHEMBL27958219 0.78 CYP2D6 (0.66) CYP1A2CYP2D6CYP2C19KDM4EALDH1A1
SCHEMBL30946652 0.77 CYP1A2 (0.62) CYP1A2CYP2D6CYP2C19KDM4EALDH1A1
SCHEMBL21198909 0.77 CYP1A2 (0.62) CYP1A2CYP2D6CYP2C19KDM4EALDH1A1

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-20230374024-A1 Compounds for the Treatment of Kinase-Dependent Disorders EXELIXIS, INC. 2023-11-23 — — US disclosed
US-11708367-B2 Compounds for the treatment of kinase-dependent disorders EXELIXIS, INC. (US) 2023-07-25 — — 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-11708367-B2 Compounds for the treatment of kinase-dependent disorders ERBB2, ERBB3, MAP3K6 CYP1A2 3994/4885CYP2D6 3930/4885CYP2C19 4454/4885
US-20230374024-A1 Compounds for the Treatment of Kinase-Dependent Disorders ERBB2, ERBB3, MAP3K6 CYP1A2 3994/4885CYP2D6 3930/4885CYP2C19 4454/4885

“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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