SCHEMBL12666705

SCHEMBL12666705

Cn1cc(-c2cnc3[nH]c4cnccc4c3c2)cn1

nearest known ligand 0.64

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.64
CHEK1 O14757 4/20 0.56
ACHE P22303 1/20 0.51
CLK2 P49760 2/20 0.49
DYRK1A Q13627 2/20 0.49
PDPK1 O15530 1/20 0.47
PDE10A Q9Y233 1/20 0.45
CLK3 P49761 1/20 0.44
AURKA O14965 1/20 0.43
AURKB Q96GD4 1/20 0.43
INCENP Q9NQS7 1/20 0.43
TPX2 Q9ULW0 1/20 0.43
IKBKE Q14164 1/20 0.43
TBK1 Q9UHD2 1/20 0.43
ALK Q9UM73 2/20 0.43
CHUK O15111 1/20 0.43

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
SCHEMBL1427592 0.81 CHEK1 (0.56) MAPTCHEK1ACHEPDPK1ALK
SCHEMBL12666733 0.81 CHEK1 (0.69) MAPTCHEK1ACHE
SCHEMBL12501027 0.80 PDPK1 (0.62) PDPK1IKBKEALK
SCHEMBL12666721 0.80 CHEK1 (0.56) MAPTCHEK1ACHEALK
SCHEMBL17967605 0.78 MAPT (1.00) MAPT
SCHEMBL12666260 0.78 CHEK1 (0.66) CHEK1ACHE
SCHEMBL2215076 0.77 CHEK1 (0.68) MAPTCHEK1ACHECLK2DYRK1A
SCHEMBL12674281 0.77 CHEK1 (0.64) MAPTCHEK1ACHEALK
SCHEMBL18452074 0.76 CLK2 (0.52) MAPTCHEK1CLK2DYRK1ACLK3
SCHEMBL12666785 0.75 CHEK1 (0.49) MAPTCHEK1ACHEPDPK1AURKA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9216980-B2 Methods of use of diazacarbazoles for treating cancer GENENTECH, INC. (US) 2015-12-22 US disclosed
US-20150087630-A1 METHODS OF USE OF DIAZACARBAZOLES FOR TREATING CANCER GENENTECH, INC. (US) 2015-03-26 US disclosed
US-20130261104-A1 METHODS OF USE OF DIAZACARBAZOLES FOR TREATING CANCER GENENTECH, INC. (US) 2013-10-03 US disclosed
US-8501765-B2 Diazacarbazoles and methods of use GENENTECH, INC. (US) 2013-08-06 US disclosed
US-20110118230-A1 DIAZACARBAZOLES AND METHODS OF USE GENENTECH, INC. 2011-05-19 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 (3 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-20110118230-A1 DIAZACARBAZOLES AND METHODS OF USE CHEK1, CHEK2, BUB1B MAPT 4241/4885CHEK1 1/4885ACHE 4058/4885
US-20150087630-A1 METHODS OF USE OF DIAZACARBAZOLES FOR TREATING CANCER IDH3B, IDH3A, EGLN3 MAPT 4858/4885CHEK1 207/4885ACHE 1733/4885
US-20130261104-A1 METHODS OF USE OF DIAZACARBAZOLES FOR TREATING CANCER IDH3B, IDH3A, EGLN3 MAPT 4858/4885CHEK1 207/4885ACHE 1733/4885

“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.