SCHEMBL4026540

SCHEMBL4026540

COc1cc(Nc2nc3ccccc3nc2-c2ccccc2Cl)cc(OC)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 2/20 0.52
MAPT P10636 7/20 0.50
TYMS P04818 2/20 0.50
LMNA P02545 2/20 0.50
CYP1A1 P04798 1/20 0.50
CYP1A2 P05177 1/20 0.50
CYP1B1 Q16678 1/20 0.50
DHFR P00374 1/20 0.50
PIK3CD O00329 2/20 0.49
PIK3CB P42338 1/20 0.49
PIK3CG P48736 1/20 0.49
TP53 P04637 2/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
THRB P10828 1/20 0.43
ALDH1A1 P00352 3/20 0.43
ZAP70 P43403 1/20 0.43
SYK P43405 1/20 0.43
EPAS1 Q99814 1/20 0.43
POLB P06746 1/20 0.42
KDM4E B2RXH2 2/20 0.42

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
SCHEMBL27963125 0.85 PIK3CA (0.55) PIK3CAMAPTTYMSLMNACYP1A1
SCHEMBL4018007 0.82 TYMS (0.59) PIK3CAMAPTTYMSLMNADHFR
SCHEMBL4017172 0.81 MAPT (0.49) PIK3CAMAPTTYMSDHFRPIK3CD
SCHEMBL4019884 0.81 MAPT (0.54) MAPTLMNAPIK3CDTP53THRB
SCHEMBL4019248 0.80 TYMS (0.57) PIK3CAMAPTTYMSLMNACYP1A1
SCHEMBL4636003 0.80 PIK3CA (0.56) PIK3CAMAPTTYMSLMNADHFR
SCHEMBL3802329 0.79 PIK3CA (0.55) PIK3CAMAPTTYMSLMNADHFR
SCHEMBL4020733 0.77 TYMS (0.59) PIK3CAMAPTTYMSLMNACYP1A1
SCHEMBL4019255 0.77 TYMS (0.61) PIK3CAMAPTTYMSLMNACYP1A1
SCHEMBL10200982 0.76 PIK3CA (0.60) PIK3CAMAPTTYMSLMNADHFR

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-8877757-B2 Pyrazine derivatives and use as PI3K inhibitors MERCK SERONO SA (CH) 2014-11-04 US disclosed
US-20110319410-A1 PYRAZINE DERIVATIVES AND USE AS PI3K INHIBITORS MERCK SERONO SA (CH) 2011-12-29 US disclosed
US-20110312960-A1 PYRAZINE DERIVATIVES AND USE AS PI3K INHIBITORS MERCK SERONO SA (CH) 2011-12-22 US disclosed
US-8071597-B2 Pyrazine compounds and uses as PI3K inhibitors MERCK SERONO SA (CH) 2011-12-06 US disclosed
US-20090082356-A1 Pyrazine Derivatives and Use as P13k Inhibitors MERCK SERONO SA (CH) 2009-03-26 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 (3 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-20090082356-A1 Pyrazine Derivatives and Use as P13k Inhibitors PI4KA, PIP5K1B, PDPK1 PIK3CA 70/4885MAPT 2973/4885TYMS 1605/4885
US-20110312960-A1 PYRAZINE DERIVATIVES AND USE AS PI3K INHIBITORS PIK3R5, PIK3CD, PIK3CA PIK3CA 3/4885MAPT 3146/4885TYMS 822/4885
US-20110319410-A1 PYRAZINE DERIVATIVES AND USE AS PI3K INHIBITORS PIK3R5, PIK3CD, PIK3CA PIK3CA 3/4885MAPT 3146/4885TYMS 822/4885

“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.