SCHEMBL16029162

SCHEMBL16029162

C=Cc1nc2c(c(=O)n(C)c(=O)n2C)n1Cc1cccc(Br)c1

nearest known ligand 0.66

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.63
MAPK1 P28482 3/20 0.63
LMNA P02545 2/20 0.63
POLB P06746 1/20 0.63
TSHR P16473 2/20 0.63
KMT2A Q03164 1/20 0.63
MAPT P10636 2/20 0.62
ALDH1A1 P00352 2/20 0.59
HIF1A Q16665 2/20 0.59
HPGD P15428 1/20 0.59
MAOB P27338 6/20 0.58
ADORA2A P29274 3/20 0.58
ADORA1 P30542 2/20 0.58
MAOA P21397 3/20 0.57
CYP3A4 P08684 1/20 0.55
CYP2C9 P11712 1/20 0.55
CYP2C19 P33261 1/20 0.55

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
SCHEMBL16030412 0.90 TSHR (0.64) SMN1; SMN2MAPK1LMNAPOLBTSHR
SCHEMBL16122923 0.87 MAPT (0.52) SMN1; SMN2MAPK1LMNAPOLBTSHR
SCHEMBL16079497 0.85 MAOB (0.66) SMN1; SMN2MAPK1LMNAPOLBTSHR
SCHEMBL16029357 0.85 SMN1; SMN2 (0.73) SMN1; SMN2MAPK1LMNAPOLBTSHR
SCHEMBL16029641 0.84 TSHR (0.70) SMN1; SMN2MAPK1LMNAPOLBTSHR
SCHEMBL16028653 0.83 ALDH1A1 (0.76) SMN1; SMN2MAPK1LMNAPOLBTSHR
SCHEMBL16029127 0.83 TSHR (0.66) SMN1; SMN2MAPK1LMNAPOLBTSHR
SCHEMBL16029359 0.81 SMN1; SMN2 (0.67) SMN1; SMN2MAPK1LMNAPOLBTSHR
SCHEMBL16079503 0.81 TSHR (0.56) SMN1; SMN2MAPK1LMNAPOLBTSHR
SCHEMBL17772705 0.80 MAPT (0.64) SMN1; SMN2MAPK1LMNAPOLBTSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2970316-B1 SUBSTITUTED XANTHINES AND METHODS OF USE THEREOF HYDRA BIOSCIENCES INC (US) 2017-11-08 EP disclosed
EP-2970316-B1 SUBSTITUTED XANTHINES AND METHODS OF USE THEREOF HYDRA BIOSCIENCES INC (US) 2017-11-08 EP disclosed
US-20160145257-A1 SUBSTITUTED XANTHINES AND METHODS OF USE THEREOF HYDRA BIOSCIENCES, INC. 2016-05-26 US disclosed
US-20160145257-A1 SUBSTITUTED XANTHINES AND METHODS OF USE THEREOF HYDRA BIOSCIENCES, INC. 2016-05-26 US disclosed
US-20160145257-A1 SUBSTITUTED XANTHINES AND METHODS OF USE THEREOF HYDRA BIOSCIENCES, INC. 2016-05-26 US disclosed
WO-2014152287-A9 SUBSTITUTED XANTHINES AND METHODS OF USE THEREOF HYDRA BIOSCIENCES, INC. (US) 2015-04-23 WO disclosed
WO-2014152287-A2 SUBSTITUTED XANTHINES AND METHODS OF USE THEREOF HYDRA BIOSCIENCES, INC. (US) 2014-09-25 WO disclosed
US-20140275528-A1 SUBSTITUTED XANTHINES AND METHODS OF USE THEREOF HYDRA BIOSCIENCES, INC. (US) 2014-09-18 US disclosed
US-20140275528-A1 SUBSTITUTED XANTHINES AND METHODS OF USE THEREOF HYDRA BIOSCIENCES, INC. (US) 2014-09-18 US disclosed
US-20140275528-A1 SUBSTITUTED XANTHINES AND METHODS OF USE THEREOF HYDRA BIOSCIENCES, INC. (US) 2014-09-18 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 (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-20160145257-A1 SUBSTITUTED XANTHINES AND METHODS OF USE THEREOF TRPC5, TRPC7, TRPC4 SMN1; SMN2 1307/4885MAPK1 3995/4885LMNA 704/4885
US-20140275528-A1 SUBSTITUTED XANTHINES AND METHODS OF USE THEREOF TRPC5, TRPC7, TRPC4 SMN1; SMN2 1307/4885MAPK1 3995/4885LMNA 704/4885

“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.