SCHEMBL580814

SCHEMBL580814

Nc1ccc(N)c(-c2nnc(-c3ccccc3)c3ccccc23)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.45
ATM Q13315 2/20 0.45
TLR9 Q9NR96 1/20 0.45
ALDH1A1 P00352 5/20 0.41
MAPT P10636 3/20 0.41
HSD17B10 Q99714 2/20 0.41
KDM4E B2RXH2 1/20 0.41
PDE5A O76074 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
HPGD P15428 1/20 0.41
ALOX15 P16050 1/20 0.41
CYP2C19 P33261 1/20 0.41
PDE1A P54750 1/20 0.41
PDE1B Q01064 1/20 0.41
PDE3B Q13370 1/20 0.41
PDE1C Q14123 1/20 0.41
PDE3A Q14432 1/20 0.41

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
SCHEMBL13911027 0.78 HTT (0.50) KMT2AATMALDH1A1MAPTHSD17B10
SCHEMBL140192 0.76 ALDH1A1 (0.58) KMT2AATMTLR9ALDH1A1MAPT
SCHEMBL29460321 0.76 ALDH1A1 (0.58) KMT2AATMTLR9ALDH1A1MAPT
SCHEMBL4864061 0.75 HTT (0.60) KMT2AATMALDH1A1MAPTHSD17B10
Hydrochloric Acid SCHEMBL7870960 0.74 ALDH1A1 (0.56) KMT2AATMTLR9ALDH1A1MAPT
Bromide SCHEMBL28748090 0.74 ALDH1A1 (0.56) KMT2AATMTLR9ALDH1A1MAPT
Hydrochloric Acid SCHEMBL6570785 0.74 ALDH1A1 (0.56) KMT2AATMTLR9ALDH1A1MAPT
SCHEMBL13911030 0.73 HTT (0.54) KMT2AATMALDH1A1MAPTHSD17B10
SCHEMBL219856 0.72 KDM4E (0.65) KMT2AATMALDH1A1MAPTKDM4E
SCHEMBL31132418 0.72 KDM4E (0.65) KMT2AATMALDH1A1MAPTKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
US-20140336182-A1 Aurora Kinase Modulators and Method of Use AMGEN INC (US) 2014-11-13 US disclosed
EP-2418209-B1 AURORA KINASE MODULATORS AND METHOD OF USE AMGEN INC (US) 2014-06-25 EP disclosed
EP-2137177-B1 AURORA KINASE MODULATORS AND METHOD OF USE AMGEN INC (US) 2014-05-07 EP disclosed
US-20140066430-A1 AURORA KINASE MODULATORS AND METHOD OF USE AMGEN INC. (US) 2014-03-06 US disclosed
US-8557816-B2 Aurora kinase modulators and method of use AMGEN INC. (US) 2013-10-15 US disclosed
US-20120122847-A1 AURORA KINASE MODULATORS AND METHOD OF USE AMGEN INC. (US) 2012-05-17 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
US-7981891-B2 Aurora kinase modulators and method of use AMGEN INC. (US) 2011-07-19 US disclosed
US-20100280008-A1 AURORA KINASE MODULATORS AND METHOD OF USE AMGEN INC. (US) 2010-11-04 US disclosed
US-7776857-B2 Aurora kinase modulators and method of use AMGEN INC. (US) 2010-08-17 US disclosed
US-7560551-B2 Aurora kinase modulators and method of use AMGEN INC. (US) 2009-07-14 US disclosed
US-20090163501-A1 Aurora kinase modulators and method of use AMGEN INC. (US) 2009-06-25 US disclosed
US-20090069297-A1 Aurora kinase modulators and method of use AMGEN INC. (US) 2009-03-12 US disclosed
US-20070185111-A1 Aurora kinase modulators and method of use AMGEN INC. 2007-08-09 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 (8 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-20140336182-A1 Aurora Kinase Modulators and Method of Use AURKC, AURKA, CDK1 KMT2A 868/4885ATM 204/4885TLR9 4541/4885
US-20140066430-A1 AURORA KINASE MODULATORS AND METHOD OF USE AURKC, AURKA, AURKB KMT2A 741/4885ATM 254/4885TLR9 4678/4885
US-20090069297-A1 Aurora kinase modulators and method of use AURKC, AURKA, CDK1 KMT2A 868/4885ATM 204/4885TLR9 4541/4885
US-20070185111-A1 Aurora kinase modulators and method of use AURKC, AURKA, CDK1 KMT2A 771/4885ATM 234/4885TLR9 4766/4885
US-20100280008-A1 AURORA KINASE MODULATORS AND METHOD OF USE AURKC, AURKA, CDK1 KMT2A 868/4885ATM 204/4885TLR9 4541/4885
US-20120122847-A1 AURORA KINASE MODULATORS AND METHOD OF USE AURKC, AURKA, CDK1 KMT2A 868/4885ATM 204/4885TLR9 4541/4885
US-20110263530-A1 Aurora Kinase Modulators and Method of Use AURKC, AURKA, AURKB KMT2A 741/4885ATM 254/4885TLR9 4678/4885
US-20090163501-A1 Aurora kinase modulators and method of use AURKC, AURKA, AURKB KMT2A 741/4885ATM 254/4885TLR9 4678/4885

“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.