SCHEMBL13328166

SCHEMBL13328166

CC(C)c1nc2n(c1C(C)C)CCCC2

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 3/20 0.39
LMNA P02545 1/20 0.39
POLB P06746 2/20 0.39
PI4KA P42356 1/20 0.38
PI4K2B Q8TCG2 1/20 0.38
PI4K2A Q9BTU6 1/20 0.38
PI4KB Q9UBF8 1/20 0.38
KDM4E B2RXH2 2/20 0.36
SMN1; SMN2 Q16637 4/20 0.36
MAPK1 P28482 2/20 0.36
ALDH1A1 P00352 2/20 0.36
HPGD P15428 2/20 0.36
GAA P10253 1/20 0.36
HTT P42858 1/20 0.36
ATM Q13315 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
HSD17B10 Q99714 1/20 0.36
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
HDAC6 Q9UBN7 1/20 0.34

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
SCHEMBL22166764 0.94 KDM4E (0.41) TP53LMNAPOLBPI4KAPI4K2B
SCHEMBL13360504 0.83 POLB (0.44) TP53LMNAPOLBPI4KAPI4K2B
SCHEMBL23890951 0.81 POLB (0.43) TP53LMNAPOLBPI4KAPI4K2B
SCHEMBL20086568 0.80 KDM4E (0.46) TP53LMNAPOLBPI4KAPI4K2B
SCHEMBL22330447 0.76 MEN1 (0.41) TP53LMNAPOLBPI4KAPI4K2B
SCHEMBL22166766 0.76 POLB (0.39) TP53LMNAPOLBSMN1; SMN2MAPK1
SCHEMBL22166768 0.75
SCHEMBL19040334 0.74 KDM4E (0.51) TP53LMNAPOLBPI4KAPI4K2B
SCHEMBL20086572 0.74 MAPT (0.41) TP53LMNAPOLBPI4KAPI4K2B
SCHEMBL23890457 0.73

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
EP-3889154-A1 HETEROCYCLIC COMPOUND INTERMEDIATE, PREPARATION METHOD THEREFOR AND APPLICATION THEREOF Wuhan LL Science And Technology Development Co., Ltd. (CN) 2021-10-06 EP disclosed
US-11014928-B2 Compounds and methods for inhibiting mitotic progression MILLENNIUM PHARMACEUTICALS, INC. (US) 2021-05-25 US disclosed
US-20200247810-A1 COMPOUNDS AND METHODS FOR INHIBITING MITOTIC PROGRESSION MILLENNIUM PHARMACEUTICALS, INC. 2020-08-06 US disclosed
US-10696678-B2 Kinase inhibitor, and preparing method and pharmaceutical use thereof GAN & LEE PHARMACEUTICALS (CN) 2020-06-30 US disclosed
US-20180134716-A1 COMPOUNDS AND METHODS FOR INHIBITING MITOTIC PROGRESSION MILLENNIUM PHARMACEUTICALS, INC. 2018-05-17 US disclosed
US-9765078-B2 Compounds and methods for inhibiting mitotic progression MILLENNIUM PHARMACEUTICALS, INC. (US) 2017-09-19 US disclosed
US-9765078-B2 Compounds and methods for inhibiting mitotic progression MILLENNIUM PHARMACEUTICALS, INC. (US) 2017-09-19 US disclosed
US-20160185782-A1 COMPOUNDS AND METHODS FOR INHIBITING MITOTIC PROGRESSION MILLENNIUM PHARMACEUTICALS, INC. 2016-06-30 US disclosed
US-9102678-B2 Compounds and methods for inhibiting mitotic progression MILLENNIUM PHARMACEUTICALS, INC. (US) 2015-08-11 US disclosed
US-20140213538-A1 LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS INTERMUNE, INC. 2014-07-31 US disclosed
US-20140200215-A1 LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS INTERMUNE, INC. 2014-07-17 US disclosed
US-20140046055-A1 COMPOUNDS AND METHODS FOR INHIBITING MITOTIC PROGRESSION MILLENNIUM PHARMACEUTICALS, INC. (US) 2014-02-13 US disclosed
US-8399659-B2 Compounds and methods for inhibiting mitotic progression MILLENNIUM PHARMACEUTICALS, INC. (US) 2013-03-19 US disclosed
US-7718648-B2 Pyridobenzazepine compounds and methods for inhibiting mitotic progression MILLENNIUM PHARMACEUTICALS, INC. (US) 2010-05-18 US disclosed
US-20090299060-A1 COMPOUNDS AND METHODS FOR INHIBITING MITOTIC PROGRESSION MILLENNIUM PHARMACEUTICALS, INC. (US) 2009-12-03 US disclosed
US-7572784-B2 Compounds and methods for inhibiting mitotic progression MILLENNIUM PHARMACEUTICALS, INC. (US) 2009-08-11 US disclosed
US-20080045501-A1 Pyridobenzazepine compounds and methods for inhibiting mitotic progression MILLENNIUM PHARMACEUTICALS, INC. (US) 2008-02-21 US disclosed
US-20070185087-A1 Compounds and methods for inhibiting mitotic progression MILLENNIUM PHARMACEUTICALS, INC. (US) 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 (11 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-20200247810-A1 COMPOUNDS AND METHODS FOR INHIBITING MITOTIC PROGRESSION AURKC, AURKA, AURKB TP53 102/4885LMNA 878/4885POLB 394/4885
US-20140213538-A1 LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS LPAR1, LPAR2, LPAR5 TP53 4335/4885LMNA 701/4885POLB 4247/4885
US-20070185087-A1 Compounds and methods for inhibiting mitotic progression AURKC, AURKA, AURKB TP53 102/4885LMNA 878/4885POLB 394/4885
US-20140046055-A1 COMPOUNDS AND METHODS FOR INHIBITING MITOTIC PROGRESSION AURKC, AURKA, AURKB TP53 102/4885LMNA 878/4885POLB 394/4885
US-10696678-B2 Kinase inhibitor, and preparing method and pharmaceutical use thereof CDK1, MAP3K1, CSNK1A1 TP53 836/4885LMNA 1634/4885POLB 1247/4885
US-20080045501-A1 Pyridobenzazepine compounds and methods for inhibiting mitotic progression AURKB, AURKC, AURKA TP53 123/4885LMNA 829/4885POLB 292/4885
US-20180134716-A1 COMPOUNDS AND METHODS FOR INHIBITING MITOTIC PROGRESSION AURKC, AURKA, AURKB TP53 102/4885LMNA 878/4885POLB 394/4885
US-11014928-B2 Compounds and methods for inhibiting mitotic progression AURKC, AURKA, AURKB TP53 102/4885LMNA 878/4885POLB 394/4885
US-20090299060-A1 COMPOUNDS AND METHODS FOR INHIBITING MITOTIC PROGRESSION AURKC, AURKA, AURKB TP53 102/4885LMNA 878/4885POLB 394/4885
US-20140200215-A1 LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS LPAR1, LPAR2, LPAR5 TP53 4335/4885LMNA 701/4885POLB 4247/4885
US-20160185782-A1 COMPOUNDS AND METHODS FOR INHIBITING MITOTIC PROGRESSION AURKC, AURKA, AURKB TP53 102/4885LMNA 878/4885POLB 394/4885

“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.