SCHEMBL18307243

SCHEMBL18307243

CCOC(=O)c1cn(Cc2ccccc2-c2ccccc2)c2sc(SC)nc2c1=S

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GNRHR P30968 12/20 0.41
ALDH1A1 P00352 4/20 0.38
KDM4E B2RXH2 3/20 0.38
TDP1 Q9NUW8 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
NPC1 O15118 3/20 0.38
RAB9A P51151 3/20 0.38
GAA P10253 2/20 0.38
MAPT P10636 2/20 0.37
MAPK1 P28482 2/20 0.37
LMNA P02545 1/20 0.37
ATM Q13315 1/20 0.37
MEN1 O00255 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
HPGD P15428 1/20 0.36
CYP2C19 P33261 1/20 0.36

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
SCHEMBL18057625 0.90 GNRHR (0.47) GNRHR
SCHEMBL18057614 0.81 MCL1 (0.38) GNRHRLMNAMEN1KMT2A
SCHEMBL18057582 0.79 GNRHR (0.48) GNRHRALDH1A1KDM4ETDP1SMN1; SMN2
SCHEMBL18057580 0.75 GNRHR (0.47) GNRHRALDH1A1TDP1MAPT
SCHEMBL18057581 0.75 GNRHR (0.44) GNRHRALDH1A1KDM4ETDP1SMN1; SMN2
SCHEMBL18057612 0.74 GNRHR (0.42) GNRHRALDH1A1KDM4EMAPTLMNA
SCHEMBL15558023 0.73 GNRHR (0.46) GNRHRALDH1A1KDM4ESMN1; SMN2NPC1
SCHEMBL18057586 0.72 ALDH1A1 (0.43) GNRHRALDH1A1LMNAMEN1KMT2A
SCHEMBL18059276 0.71 ALDH1A1 (0.42) ALDH1A1KDM4ETDP1L3MBTL1SMN1; SMN2
SCHEMBL18057598 0.71 GNRHR (0.43) GNRHRALDH1A1LMNAMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160367557-A1 HETEROCYCLIC PYRIMIDINE CARBONIC ACID DERIVATIVES WHICH ARE USEFUL IN THE TREATMENT, AMELIORATION OR PREVENTION OF A VIRAL DISEASE SAVIRA PHARMACEUTICALS GMBH 2016-12-22 US disclosed
US-20160367557-A1 HETEROCYCLIC PYRIMIDINE CARBONIC ACID DERIVATIVES WHICH ARE USEFUL IN THE TREATMENT, AMELIORATION OR PREVENTION OF A VIRAL DISEASE SAVIRA PHARMACEUTICALS GMBH 2016-12-22 US disclosed
US-20160362423-A1 7-OXO-THIAZOLOPYRIDINE CARBONIC ACID DERIVATIVES AND THEIR USE IN THE TREATMENT, AMELIORATION OR PREVENTION OF A VIRAL DISEASE SAVIRA PHARMACEUTICALS GMBH (AT) 2016-12-15 US disclosed
US-20160362423-A1 7-OXO-THIAZOLOPYRIDINE CARBONIC ACID DERIVATIVES AND THEIR USE IN THE TREATMENT, AMELIORATION OR PREVENTION OF A VIRAL DISEASE SAVIRA PHARMACEUTICALS GMBH (AT) 2016-12-15 US disclosed
EP-2864338-B1 7-OXO-THIAZOLOPYRIDINE CARBONIC ACID DERIVATIVES AND THEIR USE IN THE TREATMENT, AMELIORATION OR PREVENTION OF A VIRAL DISEASE SAVIRA PHARMACEUTICALS GMBH (AT) 2016-12-14 EP 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 (2 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-20160362423-A1 7-OXO-THIAZOLOPYRIDINE CARBONIC ACID DERIVATIVES AND THEIR USE IN THE TREATMENT, AMELIORATION OR PREVENTION OF A VIRAL DISEASE CA7, TLR7, ALAD GNRHR 2731/4885ALDH1A1 622/4885KDM4E 3982/4885
US-20160367557-A1 HETEROCYCLIC PYRIMIDINE CARBONIC ACID DERIVATIVES WHICH ARE USEFUL IN THE TREATMENT, AMELIORATION OR PREVENTION OF A VIRAL DISEASE ALAD, XDH, UACA GNRHR 2337/4885ALDH1A1 776/4885KDM4E 4646/4885

“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.