SCHEMBL16097963

SCHEMBL16097963

Cc1noc(C)c1Cn1nc(-c2nc(N)cc(N)n2)c2ccccc21

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 6/20 0.47
CYP1A2 P05177 4/20 0.47
TSHR P16473 3/20 0.45
CYP3A4 P08684 1/20 0.42
SCN8A Q9UQD0 1/20 0.42
BUB1 O43683 3/20 0.40
PDE5A O76074 1/20 0.39
MAPT P10636 2/20 0.38
DYRK1A Q13627 1/20 0.37
PTGDR2 Q9Y5Y4 2/20 0.36
LMNA P02545 2/20 0.36
RORC P51449 1/20 0.36
P2RX7 Q99572 1/20 0.36
GUCY1A1 Q02108 1/20 0.36
GUCY1B1 Q02153 1/20 0.36
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
ESR1 P03372 1/20 0.36
HPGD P15428 1/20 0.36
ALOX15 P16050 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
SCHEMBL16129097 0.86 BUB1 (0.51) BUB1
SCHEMBL16129096 0.84 BUB1 (0.43) CYP2D6CYP1A2BUB1
SCHEMBL16129199 0.80 BUB1 (0.54) BUB1
SCHEMBL16129329 0.78 BUB1 (0.46) CYP2D6CYP1A2TSHRBUB1
SCHEMBL16098321 0.77 BUB1 (0.54) BUB1
SCHEMBL16098494 0.76 BUB1 (0.44) BUB1
SCHEMBL16102290 0.73 BUB1 (0.63) BUB1
SCHEMBL16096773 0.73 BUB1 (0.55) BUB1GUCY1A1GUCY1B1
SCHEMBL14584205 0.72 TSHR (0.77) CYP2D6CYP1A2TSHRCYP3A4MAPT
SCHEMBL16129090 0.71 BUB1 (0.73) BUB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170275268-A1 HETEROARYL SUBSTITUTED INDAZOLES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2017-09-28 US disclosed
US-20170275268-A1 HETEROARYL SUBSTITUTED INDAZOLES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2017-09-28 US disclosed
US-20170275268-A1 HETEROARYL SUBSTITUTED INDAZOLES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2017-09-28 US disclosed
US-20160046604-A1 HETEROARYL SUBSTITUTED INDAZOLES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2016-02-18 US disclosed
US-20160046604-A1 HETEROARYL SUBSTITUTED INDAZOLES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2016-02-18 US disclosed
US-20160046604-A1 HETEROARYL SUBSTITUTED INDAZOLES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2016-02-18 US disclosed
EP-2976335-A1 HETEROARYL SUBSTITUTED INDAZOLES Bayer Pharma Aktiengesellschaft (DE) 2016-01-27 EP disclosed
WO-2014147204-A1 HETEROARYL SUBSTITUTED INDAZOLES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2014-09-25 WO disclosed
WO-2014147204-A1 HETEROARYL SUBSTITUTED INDAZOLES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2014-09-25 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 (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-20170275268-A1 HETEROARYL SUBSTITUTED INDAZOLES BUB1, BUB1B, BUB3 CYP2D6 1547/4885CYP1A2 804/4885TSHR 3784/4885
US-20160046604-A1 HETEROARYL SUBSTITUTED INDAZOLES BUB1, BUB1B, BUB3 CYP2D6 1960/4885CYP1A2 876/4885TSHR 4010/4885

“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.