SCHEMBL15544758

SCHEMBL15544758

CN1C(=O)C(O)(C(F)(F)F)c2cc(N)ccc21

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 3/20 0.44
PKM P14618 1/20 0.37
CNR1 P21554 1/20 0.37
GPR55 Q9Y2T6 1/20 0.37
ALDH1A1 P00352 2/20 0.36
GLA P06280 1/20 0.36
HPGD P15428 1/20 0.36
HTT P42858 1/20 0.35
OPRM1 P35372 1/20 0.35
OPRL1 P41146 1/20 0.35
NR1H2 P55055 1/20 0.35
NR1H3 Q13133 1/20 0.35
RAD52 P43351 1/20 0.35
TSHR P16473 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
RECQL P46063 1/20 0.34
POLB P06746 2/20 0.33
NT5E P21589 1/20 0.33
CHRM1 P11229 1/20 0.33
LMNA P02545 1/20 0.33

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
SCHEMBL17316276 0.82 ALDH1A1 (0.52) PDK2PKMCNR1GPR55ALDH1A1
SCHEMBL21032697 0.80 PKM (0.39) PKMCNR1GPR55ALDH1A1HPGD
SCHEMBL15538135 0.80 PKM (0.39) PKMCNR1GPR55ALDH1A1HPGD
SCHEMBL14101179 0.78 RAD52 (0.51) PDK2PKMALDH1A1HPGDHTT
SCHEMBL3594548 0.78 ACVR1 (0.42) PKMCNR1GPR55OPRM1OPRL1
SCHEMBL15545087 0.77 CASP1 (0.46) ALDH1A1NR1H2NR1H3LMNA
SCHEMBL6529925 0.76 ACVR1 (0.41) PKMCNR1GPR55OPRM1OPRL1
SCHEMBL13993447 0.76 MEN1 (0.50) PKMPOLBMAPT
SCHEMBL31251202 0.76 MEN1 (0.50) PKMPOLBMAPT
SCHEMBL31389185 0.74 OPRM1 (0.46) PKMCNR1GPR55ALDH1A1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200061063-A1 BICYCLICALLY SUBSTITUTED URACILS AND THE USE THEREOF BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2020-02-27 US disclosed
US-20200061063-A1 BICYCLICALLY SUBSTITUTED URACILS AND THE USE THEREOF BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2020-02-27 US disclosed
CN-106983751-B Bicyclic substituted uracils and their use 拜耳医药股份有限公司 2020-01-07 CN disclosed
US-10300062-B2 Bicyclically substituted uracils and the use thereof BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2019-05-28 US disclosed
US-10300062-B2 Bicyclically substituted uracils and the use thereof BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2019-05-28 US disclosed
US-20180256576-A1 BICYCLICALLY SUBSTITUTED URACILS AND THE USE THEREOF BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2018-09-13 US disclosed
US-9949978-B2 Bicyclically substituted uracils and the use thereof BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2018-04-24 US disclosed
US-9949977-B2 Bicyclically substituted uracils and the use thereof BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2018-04-24 US disclosed
US-9949977-B2 Bicyclically substituted uracils and the use thereof BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2018-04-24 US disclosed
US-9949978-B2 Bicyclically substituted uracils and the use thereof BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2018-04-24 US disclosed
EP-3045456-A1 BICYCLIC SUBSTITUTED URACILS AND THEIR USE Bayer Pharma Aktiengesellschaft (DE) 2016-07-20 EP disclosed
EP-3045456-A1 BICYCLIC SUBSTITUTED URACILS AND THEIR USE Bayer Pharma Aktiengesellschaft (DE) 2016-07-20 EP disclosed
EP-2847190-B1 BICYCLICALLY SUBSTITUTED URACILS AND THE USE THEREOF Bayer Pharma AG (DE) 2016-04-06 EP disclosed
EP-2847190-B1 BICYCLICALLY SUBSTITUTED URACILS AND THE USE THEREOF Bayer Pharma AG (DE) 2016-04-06 EP disclosed
US-20150148340-A1 BICYCLICALLY SUBSTITUTED URACILS AND THE USE THEREOF BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2015-05-28 US disclosed
US-20150148340-A1 BICYCLICALLY SUBSTITUTED URACILS AND THE USE THEREOF BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2015-05-28 US disclosed
US-20150148340-A1 BICYCLICALLY SUBSTITUTED URACILS AND THE USE THEREOF BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2015-05-28 US disclosed
EP-2847190-A1 BICYCLICALLY SUBSTITUTED URACILS AND THE USE THEREOF Bayer Pharma Aktiengesellschaft (DE) 2015-03-18 EP disclosed
CN-104395310-A Bicyclic substituted uracils and their use Bayer Pharma AG 2015-03-04 CN disclosed
WO-2013167495-A1 BICYCLICALLY SUBSTITUTED URACILS AND THE USE THEREOF BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2013-11-14 WO 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-10300062-B2 Bicyclically substituted uracils and the use thereof UNG, UMPS, TYMP PDK2 521/4885PKM 2894/4885CNR1 3308/4885
US-20200061063-A1 BICYCLICALLY SUBSTITUTED URACILS AND THE USE THEREOF UNG, UMPS, TYMP PDK2 521/4885PKM 2894/4885CNR1 3308/4885
US-20150148340-A1 BICYCLICALLY SUBSTITUTED URACILS AND THE USE THEREOF UNG, UMPS, TYMP PDK2 521/4885PKM 2894/4885CNR1 3308/4885
US-20180256576-A1 BICYCLICALLY SUBSTITUTED URACILS AND THE USE THEREOF UNG, UMPS, TYMP PDK2 521/4885PKM 2894/4885CNR1 3308/4885

“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.