SCHEMBL12638759

SCHEMBL12638759

Cc1ccc2nc(NN)ccc2c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NCK1 P16333 1/20 0.58
▸ BACE1 P56817 1/20 0.58
▸ CYP1A2 P05177 4/20 0.57
▸ CYP2A6 P11509 3/20 0.44
▸ ALDH1A1 P00352 3/20 0.44
▸ KDM4E B2RXH2 2/20 0.40
▸ PDE3B Q13370 2/20 0.40
▸ PDE3A Q14432 2/20 0.40
▸ MAPT P10636 2/20 0.40
▸ BRD4 O60885 1/20 0.40
▸ LMNA P02545 1/20 0.40
▸ POLB P06746 1/20 0.40
▸ CASP6 P55212 1/20 0.40
▸ PIK3CD O00329 1/20 0.40
▸ ABL1 P00519 1/20 0.40
▸ EGFR P00533 1/20 0.40
▸ HCK P08631 1/20 0.40
▸ SRC P12931 1/20 0.40
▸ KDR P35968 1/20 0.40
▸ PIK3CA P42336 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
SCHEMBL30471870 0.84 CYP1A2 (0.61) NCK1BACE1CYP1A2CYP2A6ALDH1A1
SCHEMBL8273780 0.84 CYP1A2 (0.61) NCK1BACE1CYP1A2CYP2A6ALDH1A1
SCHEMBL27834830 0.77 ALDH1A1 (0.56) BACE1CYP2A6ALDH1A1KDM4EPDE3B
SCHEMBL27834890 0.77 BACE1 (0.58) BACE1CYP1A2CYP2A6ALDH1A1KDM4E
SCHEMBL1599503 0.77 PIK3CD (0.37) NCK1BACE1CYP1A2ALDH1A1KDM4E
SCHEMBL12638533 0.77 CYP1A2 (0.44) CYP1A2CYP2A6ALDH1A1KDM4EMAPT
SCHEMBL18410607 0.75 MEN1 (0.65) NCK1BACE1CYP1A2KDM4EMAPT
SCHEMBL15450991 0.75 DYRK1A (0.51) NCK1BACE1CYP1A2CYP2A6ALDH1A1
SCHEMBL20913331 0.74 CYP1A2 (0.49) NCK1BACE1CYP1A2ALDH1A1ABL1
SCHEMBL7048523 0.74 BACE1 (1.00) NCK1BACE1CYP1A2CYP2A6ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110112106-A1 TRICYCLIC INHIBITORS OF 5-LIPOXYGENASE AMIRA PHARMACEUTICALS, INC. (US) 2011-05-12 — — US disclosed
US-7919621-B2 Tricyclic inhibitors of 5-lipoxygenase AMIRA PHARMACEUTICALS, INC. (US) 2011-04-05 — — US disclosed
US-20070173508-A1 TRICYCLIC INHIBITORS OF 5-LIPOXYGENASE AMIRA PHARMACEUTICALS, INC. (US) 2007-07-26 — — 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-20070173508-A1 TRICYCLIC INHIBITORS OF 5-LIPOXYGENASE ALOX5, ALOX15, ALOX15B NCK1 3567/4885BACE1 2373/4885CYP1A2 189/4885
US-20110112106-A1 TRICYCLIC INHIBITORS OF 5-LIPOXYGENASE ALOX5, ALOX15, ALOX15B NCK1 3567/4885BACE1 2373/4885CYP1A2 189/4885

“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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