SCHEMBL12109804

SCHEMBL12109804

CCc1ccc2[nH]/c(=N/N)ccc2c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DAO P14920 1/20 0.43
▸ CYP1A2 P05177 1/20 0.43
▸ CYP2A6 P11509 1/20 0.43
▸ KDM4E B2RXH2 3/20 0.39
▸ KIF11 P52732 1/20 0.37
▸ AKR1C3 P42330 1/20 0.36
▸ AKR1C2 P52895 1/20 0.36
▸ HTR1A P08908 1/20 0.36
▸ HTR1D P28221 1/20 0.36
▸ HTR1B P28222 1/20 0.36
▸ TYMS P04818 1/20 0.35
▸ FFAR1 O14842 1/20 0.34
▸ NPC1 O15118 4/20 0.34
▸ MEN1 O00255 3/20 0.34
▸ KMT2A Q03164 3/20 0.34
▸ RAB9A P51151 3/20 0.34
▸ TP53 P04637 1/20 0.34
▸ ALDH1A1 P00352 3/20 0.33
▸ SMN1; SMN2 Q16637 2/20 0.33
▸ MAPT P10636 2/20 0.33

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
SCHEMBL15450909 0.77 CA12 (0.55) DAOCYP1A2CYP2A6KDM4ENPC1
SCHEMBL764001 0.74 CA12 (0.59) DAOCYP1A2CYP2A6KDM4ENPC1
SCHEMBL12829821 0.72 AOC3 (0.48) DAOCYP1A2CYP2A6KDM4EKIF11
SCHEMBL3525432 0.69 KDM4E (0.47) DAOCYP1A2CYP2A6KDM4EKIF11
SCHEMBL8999779 0.69 MAPT (0.57) CYP2A6KDM4ENPC1MEN1KMT2A
SCHEMBL347592 0.69 CYP2A6 (0.80) DAOCYP1A2CYP2A6KIF11AKR1C3
SCHEMBL29407167 0.69 CYP2A6 (0.80) DAOCYP1A2CYP2A6KIF11AKR1C3
SCHEMBL864772 0.68 KDM4E (0.46) DAOCYP1A2CYP2A6KDM4EKIF11
SCHEMBL27542164 0.68 KDM4E (0.49) DAOCYP1A2CYP2A6KDM4EKIF11
SCHEMBL12829826 0.68 DAO (0.56) DAOCYP1A2CYP2A6KIF11AKR1C3

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-20110269779-A1 METHODS AND COMPOSITIONS FOR TREATMENT OF OPHTHALMIC CONDITIONS INTELLIKINE, INC. (US) 2011-11-03 — — US disclosed
US-20100009963-A1 KINASE ANTAGONISTS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2010-01-14 — — 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-20100009963-A1 KINASE ANTAGONISTS MTOR, RPS6KA3, AKT3 DAO 2562/4885CYP1A2 4710/4885CYP2A6 4562/4885
US-20110269779-A1 METHODS AND COMPOSITIONS FOR TREATMENT OF OPHTHALMIC CONDITIONS MTOR, PIK3C2B, PRKCH DAO 4112/4885CYP1A2 4788/4885CYP2A6 4717/4885

“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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