SCHEMBL32680894

SCHEMBL32680894

CCc1ccc(-c2ccc(-c3ccc(C#N)cc3C)c3nccnc23)cc1

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ CYP2A6 P11509 1/20 0.45
▸ NSD2 O96028 1/20 0.43
▸ S1PR1 P21453 1/20 0.42
▸ CSF1R P07333 1/20 0.41
▸ KIT P10721 1/20 0.41
▸ FLT3 P36888 1/20 0.41
▸ EGLN2 Q96KS0 3/20 0.40
▸ KDM1A O60341 1/20 0.40
▸ PDE3B Q13370 1/20 0.39
▸ PDE3A Q14432 1/20 0.39
▸ HRH2 P25021 1/20 0.39
▸ HRH1 P35367 1/20 0.39
▸ CYP11B2 P19099 5/20 0.38
▸ CYP11B1 P15538 3/20 0.38
▸ XDH P47989 1/20 0.37
▸ ALDH1A1 P00352 1/20 0.36
▸ TSHR P16473 1/20 0.36
▸ RECQL P46063 1/20 0.36
▸ EGLN1 Q9GZT9 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
SCHEMBL32680989 0.86 CYP2A6 (0.44) CYP2A6NSD2S1PR1CSF1RKIT
SCHEMBL32680990 0.85 NSD2 (0.44) CYP2A6NSD2S1PR1EGLN2KDM1A
SCHEMBL32681002 0.80 MEN1 (0.34) S1PR1ALDH1A1
SCHEMBL32680885 0.80 GCGR (0.42) PDE3BPDE3A
SCHEMBL32680987 0.80 CSF1R (0.38) CSF1RKITFLT3
SCHEMBL32680946 0.78 PTAFR (0.36) FLT3ALDH1A1TSHR
SCHEMBL32680923 0.74 CYP2A6 (0.42) CYP2A6NSD2CSF1RKITFLT3
SCHEMBL7634772 0.72 ALDH1A1 (0.48) CYP2A6NSD2S1PR1EGLN2PDE3B
SCHEMBL2154193 0.72 CYP11B2 (0.53) CYP2A6EGLN2PDE3BPDE3ACYP11B2
SCHEMBL27806613 0.70 KIF11 (0.47) CYP2A6NSD2S1PR1EGLN2PDE3B

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-20260062607-A1 TWO-DIMENSIONAL LATTICE CONFINED SINGLE-MOLECULE-LIKE AGGREGATES PURDUE RESEARCH FOUNDATION (US) 2026-03-05 — — US claimed
US-20260062607-A1 TWO-DIMENSIONAL LATTICE CONFINED SINGLE-MOLECULE-LIKE AGGREGATES PURDUE RESEARCH FOUNDATION (US) 2026-03-05 — — 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-20260062607-A1 TWO-DIMENSIONAL LATTICE CONFINED SINGLE-MOLECULE-LIKE AGGREGATES BLM, MEF2D, SNCA CYP2A6 4775/4885NSD2 698/4885S1PR1 4136/4885

“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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