SCHEMBL16178358

SCHEMBL16178358

[c]1nc2c(CN3CCOCC3)cccc2[nH]1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2A13 Q16696 7/20 0.48
CXCR4 P61073 1/20 0.45
HPGD P15428 2/20 0.44
CYP2C9 P11712 2/20 0.43
HSD17B10 Q99714 2/20 0.43
ALOX15 P16050 1/20 0.43
ALDH1A1 P00352 4/20 0.42
KDM4E B2RXH2 2/20 0.42
CYP2D6 P10635 2/20 0.40
CYP1A2 P05177 1/20 0.40
GRIN2B Q13224 1/20 0.40
KMT2A Q03164 2/20 0.40
MEN1 O00255 1/20 0.40
CYP3A4 P08684 1/20 0.39
CYP2C19 P33261 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
NCF1 P14598 1/20 0.38
LMNA P02545 1/20 0.38
GAA P10253 1/20 0.38
MAPT P10636 1/20 0.38

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
SCHEMBL14938676 0.86 CYP2D6 (0.53) HPGDHSD17B10ALDH1A1KDM4ECYP2D6
SCHEMBL29336243 0.76 HTR1A (0.49) CYP2A13CXCR4HPGDCYP2C9HSD17B10
SCHEMBL2491351 0.76 CYP2A13 (0.49) CYP2A13CXCR4HPGDCYP2C9HSD17B10
SCHEMBL19283690 0.75 FGFR1 (0.46) HPGDHSD17B10ALOX15ALDH1A1KDM4E
SCHEMBL8262966 0.74 DHODH (0.53) CYP2A13CXCR4HPGDCYP2C9HSD17B10
SCHEMBL5000345 0.72 CYP2A13 (0.48) CYP2A13CXCR4HPGDCYP2C9HSD17B10
SCHEMBL11193326 0.71 CYP2A13 (0.75) CYP2A13CXCR4CYP2C9HSD17B10ALOX15
SCHEMBL23432525 0.70 GAA (0.52) CYP2A13CYP2C9HSD17B10ALOX15ALDH1A1
SCHEMBL3585287 0.69 HRH3 (0.47) HPGDHSD17B10ALDH1A1KDM4EL3MBTL1
SCHEMBL2158571 0.69 SLC6A4 (0.36)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-RE48622-E1 Therapeutically active pyrazolo-pyrimidine derivatives UCB Biopharma SRL (BE) 2021-07-06 US disclosed
US-10450320-B2 Hexahydropyrazinotriazinone derivatives as kinase inhibitors UCB BIOPHARMA SPRL (BE) 2019-10-22 US disclosed
US-20180362532-A1 Hexahydropyrazinotriazinone Derivatives as Kinase Inhibitors UCB BIOPHARMA SPRL (BE) 2018-12-20 US disclosed
EP-3157922-B1 PYRAZOLO-PYRIDINE DERIVATIVES AS KINASE INHIBITORS UCB BIOPHARMA SPRL (BE) 2018-11-28 EP disclosed
EP-3386984-A1 HEXAHYDROPYRAZINOTRIAZINONE DERIVATIVES AS KINASE INHIBITORS UCB Biopharma SPRL (BE) 2018-10-17 EP disclosed
US-10087180-B2 Pyrazolo-pyridine derivatives as kinase inhibitors UCB BIOPHARMA SPRL (BE) 2018-10-02 US disclosed
US-20180201622-A1 Fused Bicyclic Heteroaromatic Derivatives as Kinase Inhibitors KATHOLIEKE UNIVERSITEIT LEUVEN, K.U.LEUVEN R&D (BE) 2018-07-19 US disclosed
US-10000497-B2 Fused bicyclic heteroaromatic derivatives as kinase inhibitors UCB BIOPHARMA SPRL (BY) 2018-06-19 US disclosed
US-9969748-B2 Fused bicyclic heteroaromatic derivatives as kinase inhibitors UCB BIOPHARMA SPRL (BE) 2018-05-15 US disclosed
EP-2935269-B1 THERAPEUTICALLY ACTIVE PYRAZOLO-PYRIMIDINE DERIVATIVES UCB BIOPHARMA SPRL (BE) 2018-04-11 EP disclosed
US-9714248-B2 Therapeutically active pyrazolo-pyrimidine derivatives UCB PHARMA SA (BE) 2017-07-25 US disclosed
WO-2017097871-A1 HEXAHYDROPYRAZINOTRIAZINONE DERIVATIVES AS KINASE INHIBITORS UCB BIOPHARMA SPRL (BE) 2017-06-15 WO disclosed
US-20170129905-A1 Fused Bicyclic Heteroaromatic Derivatives as Kinase Inhibitors UCB BIOPHARMA SPRL (BE) 2017-05-11 US disclosed
US-20170121337-A1 Fused Bicyclic Heteroaromatic Derivatives as Kinase Inhibitors KATHOLIEKE UNIVERSITEIT LEUVEN, K.U.LEUVEN R&D (BE) 2017-05-04 US disclosed
US-20170121324-A1 Pyrazolo-Pyridine Derivatives as Kinase Inhibitors UCB BIOPHARMA SPRL (BE) 2017-05-04 US disclosed
EP-2776445-B1 THERAPEUTICALLY ACTIVE THIAZOLO-PYRIMIDINE DERIVATIVES UCB BIOPHARMA SPRL (BE) 2016-08-10 EP disclosed
US-20160194329-A1 Therapeutically Active Pyrazolo-Pyrimidine Derivatives UCB PHARMA SA (BE) 2016-07-07 US disclosed
US-9096614-B2 Therapeutically active thiazolo-pyrimidine derivatives UCB PHARMA SA (BE) 2015-08-04 US disclosed
US-20140315885-A1 Therapeutically Active Thiazolo-Pyrimidine Derivatives UCB PHARMA SA (BE) 2014-10-23 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 (10 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-20180201622-A1 Fused Bicyclic Heteroaromatic Derivatives as Kinase Inhibitors PI4KB, PI4KA, PI4K2B CYP2A13 1386/4885CXCR4 2090/4885HPGD 4029/4885
US-20160194329-A1 Therapeutically Active Pyrazolo-Pyrimidine Derivatives HAVCR2, TPMT, NFATC1 CYP2A13 1634/4885CXCR4 460/4885HPGD 1449/4885
US-20140315885-A1 Therapeutically Active Thiazolo-Pyrimidine Derivatives TPMT, IFNG, IRF3 CYP2A13 1853/4885CXCR4 1522/4885HPGD 615/4885
US-10087180-B2 Pyrazolo-pyridine derivatives as kinase inhibitors PI4KA, PI4KB, PI4K2A CYP2A13 2269/4885CXCR4 1244/4885HPGD 3914/4885
US-20170121337-A1 Fused Bicyclic Heteroaromatic Derivatives as Kinase Inhibitors PI4KB, PI4KA, PI4K2B CYP2A13 1356/4885CXCR4 1815/4885HPGD 4089/4885
US-20170129905-A1 Fused Bicyclic Heteroaromatic Derivatives as Kinase Inhibitors PI4KB, PI4KA, PI4K2B CYP2A13 1386/4885CXCR4 2090/4885HPGD 4029/4885
US-10450320-B2 Hexahydropyrazinotriazinone derivatives as kinase inhibitors PI4KA, PI4KB, PI4K2B CYP2A13 1876/4885CXCR4 1992/4885HPGD 3783/4885
US-20180362532-A1 Hexahydropyrazinotriazinone Derivatives as Kinase Inhibitors PI4KA, PI4KB, PI4K2B CYP2A13 1876/4885CXCR4 1992/4885HPGD 3783/4885
US-10000497-B2 Fused bicyclic heteroaromatic derivatives as kinase inhibitors PI4KB, PI4KA, PI4K2B CYP2A13 1356/4885CXCR4 1815/4885HPGD 4089/4885
US-20170121324-A1 Pyrazolo-Pyridine Derivatives as Kinase Inhibitors PI4KA, PI4KB, PI4K2A CYP2A13 2269/4885CXCR4 1244/4885HPGD 3914/4885

“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.