SCHEMBL21722233

SCHEMBL21722233

c1ccc2c(C3CCc4c(ncnc4N4CCNCC4)C3)cncc2c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 4/20 0.40
LRRK2 Q5S007 1/20 0.38
CYP1A2 P05177 6/20 0.36
CYP3A4 P08684 5/20 0.36
CYP2D6 P10635 3/20 0.36
TSHR P16473 2/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
RECQL P46063 1/20 0.36
HSD17B10 Q99714 2/20 0.36
NCF1 P14598 2/20 0.36
HTR3E A5X5Y0 1/20 0.36
HTR3B O95264 1/20 0.36
HTR1A P08908 1/20 0.36
NFKB1 P19838 1/20 0.36
HTR1D P28221 1/20 0.36
HTR1B P28222 1/20 0.36
HTR2A P28223 1/20 0.36
HTR7 P34969 1/20 0.36
MTOR P42345 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
SCHEMBL21733903 0.84 KRAS (0.45) HTR2CCYP1A2CYP3A4CYP2D6TSHR
SCHEMBL30834581 0.84 KRAS (0.45) HTR2CCYP1A2CYP3A4CYP2D6TSHR
SCHEMBL21733719 0.82 KRAS (0.53)
SCHEMBL30177853 0.82 KRAS (0.53)
SCHEMBL30177996 0.82 KRAS (0.53)
SCHEMBL21733709 0.82 KRAS (0.53)
SCHEMBL21722179 0.82 KRAS (0.53)
SCHEMBL30834556 0.82 CYP1A2 (0.41) HTR2CCYP1A2CYP3A4CYP2D6TSHR
SCHEMBL21722152 0.82 CYP1A2 (0.41) HTR2CCYP1A2CYP3A4CYP2D6TSHR
SCHEMBL21259505 0.80 HRH4 (0.42) HTR2CCYP1A2CYP3A4CYP2D6TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112119075-B Condensed ring compound 豪夫迈·罗氏有限公司 2024-03-12 CN disclosed
US-11760744-B2 Fused ring compounds GENENTECH, INC. (US) 2023-09-19 US disclosed
US-20230002345-A1 FUSED RING COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 2023-01-05 US disclosed
CN-112119075-A Fused ring compound 豪夫迈·罗氏有限公司 2020-12-22 CN disclosed
EP-3746436-A1 FUSED RING COMPOUNDS F. Hoffmann-La Roche AG (CH) 2020-12-09 EP disclosed
WO-2020035031-A1 FUSED RING COMPOUNDS GENENTECH, INC. (US) 2020-02-20 WO disclosed
WO-2020035031-A1 FUSED RING COMPOUNDS GENENTECH, INC. (US) 2020-02-20 WO 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-11760744-B2 Fused ring compounds KRAS, NRAS, HRAS HTR2C 4653/4885LRRK2 295/4885CYP1A2 3503/4885
US-20230002345-A1 FUSED RING COMPOUNDS KRAS, NRAS, HRAS HTR2C 4653/4885LRRK2 295/4885CYP1A2 3503/4885

“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.