SCHEMBL581787

SCHEMBL581787

COc1ccc(Cc2n[nH]c(=O)c3ccccc23)cc1

nearest known ligand 0.70

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
AR P10275 5/20 0.70
PARP1 P09874 5/20 0.70
CYP3A4 P08684 2/20 0.70
CYP2C9 P11712 2/20 0.70
CYP2C19 P33261 2/20 0.70
TSHR P16473 1/20 0.70
LMNA P02545 1/20 0.68
GAA P10253 1/20 0.66
MAPT P10636 1/20 0.66
ENPP1 P22413 2/20 0.58
CYP1A2 P05177 1/20 0.55
CYP2D6 P10635 1/20 0.55
SMN1; SMN2 Q16637 1/20 0.55
PRMT5 O14744 1/20 0.53
POLB P06746 1/20 0.52

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
SCHEMBL4833670 0.85 PARP1 (0.66) ARPARP1CYP3A4CYP2C9CYP2C19
SCHEMBL12955544 0.84 AR (0.77) ARPARP1CYP3A4CYP2C9CYP2C19
SCHEMBL863462 0.83 AR (1.00) ARPARP1CYP3A4CYP2C9CYP2C19
SCHEMBL13265656 0.83 PARP1 (0.62) ARPARP1CYP3A4CYP2C9CYP2C19
SCHEMBL4702788 0.83 CYP3A4 (0.53) ARPARP1CYP3A4CYP2C9CYP2C19
SCHEMBL28098683 0.82 CNR1 (0.62) ARPARP1CYP3A4CYP2C9CYP2C19
SCHEMBL29655163 0.82 CYP3A4 (0.61) ARPARP1CYP3A4CYP2C9CYP2C19
SCHEMBL19748606 0.82 CYP3A4 (0.61) ARPARP1CYP3A4CYP2C9CYP2C19
SCHEMBL24000626 0.81 PARP1 (0.72) ARPARP1CYP3A4CYP2C9CYP2C19
SCHEMBL8154178 0.81 AR (0.77) ARPARP1CYP3A4CYP2C9CYP2C19

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 26 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4207112-A STORAGE STABILITY FUJI PHOTO FILM CO., LTD. (JP) 1980-06-10 US claimed
US-9242961-B2 Aurora kinase modulators and method of use AMGEN INC. (US) 2016-01-26 US disclosed
EP-1984353-B1 AURORA KINASE MODULATORS AND METHOD OF USE AMGEN INC (US) 2015-12-30 EP disclosed
CN-101405282-B Aurora kinase modulators and methods of use AMGEN INC 2015-03-25 CN disclosed
EP-2418209-B1 AURORA KINASE MODULATORS AND METHOD OF USE AMGEN INC (US) 2014-06-25 EP disclosed
US-20140066430-A1 AURORA KINASE MODULATORS AND METHOD OF USE AMGEN INC. (US) 2014-03-06 US disclosed
EP-2418209-A1 Aurora kinase modulators and method of use Amgen Inc. (US) 2012-02-15 EP disclosed
US-20110263530-A1 Aurora Kinase Modulators and Method of Use AMGEN INC. (US) 2011-10-27 US disclosed
US-8022221-B2 Aurora kinase modulators and method of use AMGEN INC. (US) 2011-09-20 US disclosed
EP-1330442-B1 PHTHALAZINONE DERIVATIVES KUDOS PHARM LTD (GB) 2011-01-19 EP disclosed
US-20080039444-A1 COMPOUNDS GLAXO GROUP LIMITED (GB) 2008-02-14 US disclosed
WO-2007122156-A9 2-SUBSTITUTED 4-BENZYLPHTHALAZINONE DERIVATIVES AS HISTAMINE H1 AND H3 ANTAGONISTS GLAXO GROUP LTD (GB) 2008-01-24 WO disclosed
WO-2007122156-A1 2-SUBSTITUTED 4-BENZYLPHTHALAZINONE DERIVATIVES AS HISTAMINE H1 AND H3 ANTAGONISTS GLAXO GROUP LIMITED (GB) 2007-11-01 WO disclosed
US-20070185111-A1 Aurora kinase modulators and method of use AMGEN INC. 2007-08-09 US disclosed
WO-2007087276-A1 AURORA KINASE MODULATORS AND METHOD OF USE AMGEN INC. (US) 2007-08-02 WO disclosed
US-4237215-A DECOMPOSING N-HALO COMPOUND IN PRESENCE OF ORGANIC SILVER SALT TO PRODUCE SILVER HALIDE FUJI PHOTO FILM CO., LTD. (JP) 1980-12-02 US disclosed
US-4207112-A STORAGE STABILITY FUJI PHOTO FILM CO., LTD. (JP) 1980-06-10 US disclosed
US-4144072-A CONTAINING A PHTHALAZINONE AND A PHTHALIMIDE FUJI PHOTO FILM CO., LTD. (JP) 1979-03-13 US disclosed
US-4125403-A ORGANIC SILVER SALT, SILVER HALIDE, REDUCING AGENT, PHTHALAZINONE, AND A BENZOXAZINEDIONE OR QUINAZOLINEDIONE FUJI PHOTO FILM CO., LTD. 1978-11-14 US disclosed
US-4076534-A Heat developable light-sensitive material FUJI PHOTO FILM CO., LTD. (JA) 1978-02-28 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 (4 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-20140066430-A1 AURORA KINASE MODULATORS AND METHOD OF USE AURKC, AURKA, AURKB AR 742/4885PARP1 1024/4885CYP3A4 3016/4885
US-20070185111-A1 Aurora kinase modulators and method of use AURKC, AURKA, CDK1 AR 452/4885PARP1 1063/4885CYP3A4 3083/4885
US-20080039444-A1 COMPOUNDS CMA1, MRGPRX2, HRH2 AR 819/4885PARP1 3325/4885CYP3A4 185/4885
US-20110263530-A1 Aurora Kinase Modulators and Method of Use AURKC, AURKA, AURKB AR 742/4885PARP1 1024/4885CYP3A4 3016/4885

“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.