SCHEMBL25857823

SCHEMBL25857823

CCCCn1ncc(C(C)C)n1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TOP2A P11388 1/20 0.40
HCRTR1 O43613 1/20 0.33
HCRTR2 O43614 1/20 0.33
CYP19A1 P11511 2/20 0.33
TSHR P16473 1/20 0.33
NR1H3 Q13133 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
ALDH1A1 P00352 2/20 0.31
LMNA P02545 2/20 0.31
GAA P10253 1/20 0.31
HPGD P15428 1/20 0.31
ALOX12 P18054 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
POLB P06746 2/20 0.31
KMT2A Q03164 1/20 0.31
CASR P41180 1/20 0.31

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
SCHEMBL24768312 0.84 HCRTR1 (0.30) HCRTR1HCRTR2
SCHEMBL24768321 0.79 HCRTR1 (0.31) HCRTR1HCRTR2
SCHEMBL21303952 0.79 HCRTR1 (0.31) HCRTR1HCRTR2ALDH1A1
SCHEMBL23071503 0.79 HCRTR1 (0.31) HCRTR1HCRTR2
SCHEMBL23989358 0.76 CASR (0.34) ALDH1A1LMNACASR
SCHEMBL21149664 0.72
SCHEMBL28843541 0.70 TOP2A (0.40) TOP2ACYP19A1TSHRNR1H3CYP1A2
SCHEMBL24768308 0.70
SCHEMBL24770545 0.69 MAPT (0.35)
SCHEMBL6736342 0.69

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11702422-B2 Imidazopyridazines as modulators of IL-17 JANSSEN PHARMACEUTICA NV (BE) 2023-07-18 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-11702422-B2 Imidazopyridazines as modulators of IL-17 IL17A, IL23R, IL15 TOP2A 2735/4885HCRTR1 1334/4885HCRTR2 1998/4885

“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.