SCHEMBL9912098

SCHEMBL9912098

CN1CCC[C@@H]1c1ncc(-c2ccc(-c3ccc(-c4cnc([C@H]5CCCN5C)[nH]4)s3)s2)[nH]1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDC7 O00311 2/20 0.40
ROCK1 Q13464 2/20 0.40
DBF4 Q9UBU7 2/20 0.40
ALDH1A1 P00352 2/20 0.40
CHRNA7 P36544 2/20 0.40
CHRNB2 P17787 2/20 0.40
CHRNB4 P30926 2/20 0.40
CHRNA3 P32297 2/20 0.40
CHRNA4 P43681 2/20 0.40
CHRNA2 Q15822 2/20 0.40
LMNA P02545 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
HTR3E A5X5Y0 1/20 0.40
PSIP1 O75475 1/20 0.40
TRPA1 O75762 1/20 0.40
HTR3B O95264 1/20 0.40
CHRNA1 P02708 1/20 0.40
CHRNG P07510 1/20 0.40
MAPT P10636 1/20 0.40
CHRNB1 P11230 1/20 0.40

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
SCHEMBL15274600 0.94 NR1I2 (0.39) CDC7ROCK1DBF4ALDH1A1CHRNA7
SCHEMBL15274616 0.91 CHRNB2 (0.40) CDC7ROCK1DBF4ALDH1A1CHRNA7
SCHEMBL15274615 0.90 CDC7 (0.37) CDC7ROCK1DBF4ALDH1A1CHRNA7
SCHEMBL18051168 0.90 CDC7 (0.37) CDC7ROCK1DBF4ALDH1A1CHRNA7
SCHEMBL9912090 0.90 CDC7 (0.37) CDC7ROCK1DBF4ALDH1A1CHRNA7
SCHEMBL15274591 0.86 PRCP (0.40) CDC7ROCK1DBF4CHRNB2CHRNB4
SCHEMBL9912099 0.84 HPGDS (0.44)
SCHEMBL15274614 0.83 CHRNB2 (0.43) ALDH1A1CHRNA7CHRNB2CHRNB4CHRNA3
SCHEMBL15773658 0.82 CDC7 (0.33) CDC7ROCK1DBF4ALDH1A1CHRNA7
SCHEMBL13293945 0.82 CYP3A4 (0.51)

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-20130253008-A1 SUBSTITUTED AZOLES, ANTIVIRAL ACTIVE COMPONENT, PHARMACEUTICAL COMPOSITION, METHOD FOR PREPARATION AND USE THEREOF ALLA CHEM LLC (US) 2013-09-26 US disclosed
WO-2012074437-A2 SUBSTITUTED AZOLES, ANTI-VIRAL ACTIVE INGREDIENT, PHARMACEUTICAL COMPOSITION, METHOD FOR THE PRODUCTION AND USE THEREOF АЛЛА ХЕМ, ЛЛС (US) 2012-06-07 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 (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-20130253008-A1 SUBSTITUTED AZOLES, ANTIVIRAL ACTIVE COMPONENT, PHARMACEUTICAL COMPOSITION, METHOD FOR PREPARATION AND USE THEREOF HCCS, EIF2AK2, HAVCR2 CDC7 2415/4885ROCK1 3997/4885DBF4 2987/4885

“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.