SCHEMBL16014359

SCHEMBL16014359

COc1ccc(Cn2nc(OC)nc2Nc2cc(Cl)nc(Cl)c2)cc1

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 3/20 0.41
NPBWR1 P48145 8/20 0.41
POLB P06746 1/20 0.40
GAA P10253 1/20 0.40
MAPT P10636 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
MCHR1 Q99705 1/20 0.38
AURKA O14965 1/20 0.38
AURKB Q96GD4 1/20 0.38
BUB1 O43683 2/20 0.38
DCTPP1 Q9H773 1/20 0.38
P2RX3 P56373 2/20 0.37
KDR P35968 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
SCHEMBL16014805 0.90 P2RX7 (0.43) P2RX7NPBWR1MCHR1BUB1DCTPP1
SCHEMBL16014642 0.87 NPBWR1 (0.42) P2RX7NPBWR1MCHR1BUB1DCTPP1
SCHEMBL16014528 0.85 P2RX7 (0.39) P2RX7NPBWR1POLBGAAMAPT
SCHEMBL16014856 0.79 P2RX7 (0.44) P2RX7NPBWR1MAPTSMN1; SMN2MCHR1
SCHEMBL16014593 0.77 P2RX7 (0.42) P2RX7NPBWR1MCHR1BUB1DCTPP1
SCHEMBL16014705 0.77 P2RX7 (0.47) P2RX7NPBWR1BUB1P2RX3
SCHEMBL16023924 0.75 P2RX7 (0.41) P2RX7NPBWR1SMN1; SMN2MCHR1BUB1
SCHEMBL16014562 0.75 P2RX7 (0.41) P2RX7NPBWR1MAPTMCHR1BUB1
SCHEMBL16014520 0.75 AR (0.47) P2RX3KDR
SCHEMBL16014715 0.74 P2RX7 (0.42) P2RX7NPBWR1MAPTMCHR1AURKA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2964626-A1 ANTIVIRAL COMPOUNDS F. Hoffmann-La Roche AG (CH) 2016-01-13 EP disclosed
US-20160002180-A1 ANTIVIRAL COMPOUNDS HOFFMANN LA ROCHE (US) 2016-01-07 US disclosed
US-20160002180-A1 ANTIVIRAL COMPOUNDS HOFFMANN LA ROCHE (US) 2016-01-07 US disclosed
US-20160002180-A1 ANTIVIRAL COMPOUNDS HOFFMANN LA ROCHE (US) 2016-01-07 US disclosed
WO-2014135028-A1 PYRIDOPYRIMIDINE OR PYRIMIDOPYRIMIDINE COMPOUND, PREPARATION METHOD, PHARMACEUTICAL COMPOSITION AND USE THEREOF 中国科学院上海药物研究所 (CN) 2014-09-12 WO disclosed
WO-2014135472-A1 ANTIVIRAL COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 2014-09-12 WO disclosed
WO-2014135472-A1 ANTIVIRAL COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 2014-09-12 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 (1 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-20160002180-A1 ANTIVIRAL COMPOUNDS HAVCR2, EIF2AK2, MAVS P2RX7 1685/4885NPBWR1 3843/4885POLB 947/4885

“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.