SCHEMBL157142

SCHEMBL157142

Nc1ncnc(Cl)c1C(F)(F)F

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CA2 P00918 1/20 0.38
CHKA P35790 1/20 0.38
HTT P42858 1/20 0.34
MAP4K4 O95819 2/20 0.33
XDH P47989 1/20 0.32
PIK3CD O00329 2/20 0.32
USP7 Q93009 1/20 0.31
PIK3R1 P27986 1/20 0.31
NOTUM Q6P988 1/20 0.30
RPS6KB1 P23443 1/20 0.30

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
SCHEMBL12264312 0.84 CA2 (0.44) CA2CHKAMAP4K4XDHUSP7
SCHEMBL6034182 0.78 PI4KA (0.35) HTTPIK3CD
SCHEMBL29176964 0.75 PI4KA (0.33) HTT
SCHEMBL154408 0.74 USP7 (0.38) CA2CHKAMAP4K4XDHUSP7
SCHEMBL12186832 0.74 CA2 (0.38) CA2CHKAXDHPIK3CDUSP7
SCHEMBL14782424 0.71 RPS6KB1 (0.40) CA2CHKAHTTRPS6KB1
SCHEMBL179361 0.71 CA2 (0.35) CA2CHKAXDHPIK3CD
SCHEMBL793968 0.70
SCHEMBL153472 0.69 CA2 (0.34) CA2CHKAMAP4K4RPS6KB1
SCHEMBL1440581 0.69

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 47 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3157920-B1 INDOLIZINE DERIVATIVES AS PHOSPHOINOSITIDE 3-KINASES INHIBITORS CHIESI FARM SPA (IT) 2019-08-07 EP disclosed
US-20190152988-A1 ISOINDOLINE, AZAISOINDOLINE, DIHYDROINDENONE AND DIHYDROAZAINDENONE INHIBITORS OF MNK1 AND MNK2 EFFECTOR THERAPEUTICS, INC. (JP) 2019-05-23 US disclosed
US-20190152988-A1 ISOINDOLINE, AZAISOINDOLINE, DIHYDROINDENONE AND DIHYDROAZAINDENONE INHIBITORS OF MNK1 AND MNK2 EFFECTOR THERAPEUTICS, INC. (JP) 2019-05-23 US disclosed
US-10112955-B2 Isoindoline, azaisoindoline, dihydroindenone and dihydroazaindenone inhibitors of Mnk1 and Mnk2 EFFECTOR THERAPEUTICS, INC. (US) 2018-10-30 US disclosed
EP-3368530-A1 ISOINDOLINE, AZAISOINDOLINE, DIHYDROINDENONE AND DIHYDROAZAINDENONE INHIBITORS OF MNK1 AND MNK2 Effector Therapeutics Inc. (US) 2018-09-05 EP disclosed
US-9738644-B2 Chemical compounds, compositions and methods for kinase modulation INFINITY PHARMACEUTICALS, INC. (US) 2017-08-22 US disclosed
US-9738644-B2 Chemical compounds, compositions and methods for kinase modulation INFINITY PHARMACEUTICALS, INC. (US) 2017-08-22 US disclosed
US-9682980-B2 Positive allosteric modulators of mGluR2 BRISTOL-MYERS SQUIBB COMPANY (US) 2017-06-20 US disclosed
WO-2017075394-A1 ISOINDOLINE, AZAISOINDOLINE, DIHYDROINDENONE AND DIHYDROAZAINDENONE INHIBITORS OF MNK1 AND MNK2 EFFECTOR THERAPEUTICS, INC. (US) 2017-05-04 WO disclosed
WO-2017075394-A1 ISOINDOLINE, AZAISOINDOLINE, DIHYDROINDENONE AND DIHYDROAZAINDENONE INHIBITORS OF MNK1 AND MNK2 EFFECTOR THERAPEUTICS, INC. (US) 2017-05-04 WO disclosed
WO-2012146666-A1 PYRROLOTRIAZINONE DERIVATIVES AS PI3K INHIBITORS ALMIRALL, S.A. (ES) 2012-11-01 WO disclosed
US-20120059000-A1 CHEMICAL COMPOUNDS, COMPOSITIONS AND METHODS FOR KINASE MODULATION INFINITY PHARMACEUTICALS, INC. 2012-03-08 US disclosed
US-20120059000-A1 CHEMICAL COMPOUNDS, COMPOSITIONS AND METHODS FOR KINASE MODULATION INFINITY PHARMACEUTICALS, INC. 2012-03-08 US disclosed
WO-2011146882-A1 CHEMICAL COMPOUNDS, COMPOSITIONS AND METHODS FOR KINASE MODULATION INTELLIKINE, INC. (US) 2011-11-24 WO disclosed
WO-2011123751-A2 HETEROCYCLIC COMPOUNDS AND THEIR USES AMGEN INC. (US) 2011-10-06 WO disclosed
US-20110245257-A1 HETEROCYCLIC COMPOUNDS AND THEIR USES AMGEN INC. (US) 2011-10-06 US disclosed
CN-101035780-A Substituted nitrogen-containing six-membered amino-heterocycles as vanilloid-1 receptor antagonists for treating pain MERCK SHARP & DOHME (GB) 2007-09-12 CN disclosed
EP-1685124-A1 SUBSTITUTED NITROGEN-CONTAINING SIX-MEMBERED AMINO-HETEROCYCLES AS VANILLOID-1 RECEPTOR ANTAGONISTS FOR TREATING PAIN MERCK SHARP & DOHME LTD. (GB) 2006-08-02 EP disclosed
US-20050197342-A1 Substituted nitrogen-containing six-membered amino-heterocycles as vanilloid-1 receptor antagonists for treating pain HOLLINGWORTH GREGORY J (GB) 2005-09-08 US disclosed
WO-2005047279-A1 SUBSTITUTED NITROGEN-CONTAINING SIX-MEMBERED AMINO-HETEROCYCLES AS VANILLOID-1 RECEPTOR ANTAGONISTS FOR TREATING PAIN MERCK SHARP & DOHME LIMITED (GB) 2005-05-26 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 (5 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-20120059000-A1 CHEMICAL COMPOUNDS, COMPOSITIONS AND METHODS FOR KINASE MODULATION MAP3K13, AKT3, PIK3CA CA2 1800/4885CHKA 126/4885HTT 2313/4885
US-20050197342-A1 Substituted nitrogen-containing six-membered amino-heterocycles as vanilloid-1 receptor antagonists for treating pain OPRL1, OPRK1, CNR1 CA2 834/4885CHKA 3147/4885HTT 1490/4885
US-10112955-B2 Isoindoline, azaisoindoline, dihydroindenone and dihydroazaindenone inhibitors of Mnk1 and Mnk2 NEK9, NEK2, NEK3 CA2 3278/4885CHKA 415/4885HTT 3675/4885
US-20190152988-A1 ISOINDOLINE, AZAISOINDOLINE, DIHYDROINDENONE AND DIHYDROAZAINDENONE INHIBITORS OF MNK1 AND MNK2 NEK9, NEK2, NEK3 CA2 3278/4885CHKA 415/4885HTT 3675/4885
US-20110245257-A1 HETEROCYCLIC COMPOUNDS AND THEIR USES MCL1, BCL9, MALT1 CA2 3198/4885CHKA 883/4885HTT 1338/4885

“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.