SCHEMBL2606745

SCHEMBL2606745

CC(C)N1CCc2c(ncn2C)C1

nearest known ligand 0.35

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PIK3R1 P27986 2/20 0.35
PIK3CA P42336 2/20 0.35
HRH3 Q9Y5N1 3/20 0.34
GRM5 P41594 1/20 0.33
SIRT2 Q8IXJ6 1/20 0.32
SIRT1 Q96EB6 1/20 0.32
CHRNA7 P36544 1/20 0.32
FGFR1 P11362 1/20 0.30
FGFR2 P21802 1/20 0.30
FGFR3 P22607 1/20 0.30
ACVR1 Q04771 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
SCHEMBL12563463 0.86 PIK3R1 (0.35) PIK3R1PIK3CAHRH3GRM5SIRT2
SCHEMBL19104707 0.84 MMP3 (0.30)
SCHEMBL8316966 0.78 MAOA (0.36) HRH3GRM5FGFR1FGFR2FGFR3
SCHEMBL20284220 0.75 GRM5 (0.34) GRM5FGFR1FGFR2FGFR3ACVR1
SCHEMBL24817958 0.72 CDK4 (0.35) PIK3R1PIK3CAHRH3CHRNA7
SCHEMBL438780 0.72 GRM5 (0.33) GRM5FGFR1FGFR2FGFR3ACVR1
SCHEMBL12082578 0.72 GRM5 (0.41) HRH3GRM5
SCHEMBL13937968 0.71 CHRNA7 (0.35) PIK3R1PIK3CAHRH3CHRNA7
SCHEMBL11476261 0.70 LMNA (0.44) HRH3GRM5
SCHEMBL22057094 0.70 ALDH1A1 (0.33) PIK3R1PIK3CACHRNA7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230203028-A1 PYRIDAZINONES AND METHODS OF USE THEREOF GFB (ABC), LLC 2023-06-29 US disclosed
US-20220017521-A1 PYRAZOLOPYRIMIDINE COMPOUNDS AND USES THEREOF INCYTE CORPORATION 2022-01-20 US disclosed
US-11111247-B2 Pyrazolopyrimidine compounds and uses thereof INCYTE CORPORATION (US) 2021-09-07 US disclosed
WO-2020068729-A1 PYRAZOLO[4,3-D]PYRIMIDINE COMPOUNDS AS ALK2 ABD/OR FGFR MODULATORS INCYTE CORPORATION (US) 2020-04-02 WO disclosed
US-20200095250-A1 PYRAZOLOPYRIMIDINE COMPOUNDS AND USES THEREOF INCYTE CORPORATION 2020-03-26 US disclosed
US-20170210751-A1 PRMT5 INHIBITORS AND USES THEREOF Epizyme, Inc. (US) 2017-07-27 US disclosed
US-20150073136-A1 PYRAZINONE DERIVATIVES ASTRAZENECA AB (SE) 2015-03-12 US disclosed
US-8889692-B2 Pyrazinone derivatives, pharmaceutically acceptance salts thereof and their uses ASTRAZENECA AB (SE) 2014-11-18 US disclosed
US-20130012523-A1 PYRAZINONE DERIVATIVES, PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF AND THEIR USES BROUGH STEPHEN (GB) 2013-01-10 US disclosed
US-8299246-B2 N-cyclopropyl-3-fluoro-5-[3-[[1-[2-[2- [(2-hydroxethyl)amino] ethoxy]phenyl] cyclopropyl] amino]-2-oxo-1 (2H)-pyrazinyl]-4-methyl-benzamide, or pharmaceutically acceptable salts thereof and their uses ASTRAZENECA AB (SE) 2012-10-30 US disclosed
US-8299246-B2 N-cyclopropyl-3-fluoro-5-[3-[[1-[2-[2- [(2-hydroxethyl)amino] ethoxy]phenyl] cyclopropyl] amino]-2-oxo-1 (2H)-pyrazinyl]-4-methyl-benzamide, or pharmaceutically acceptable salts thereof and their uses ASTRAZENECA AB (SE) 2012-10-30 US disclosed
US-8163905-B2 Compounds and their uses 708 ASTRAZENECA AB (SE) 2012-04-24 US disclosed
US-20110152243-A1 NOVEL THIENOPYRROLE COMPOUNDS ABBOTT LABORATORIES (US) 2011-06-23 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 (8 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-20230203028-A1 PYRIDAZINONES AND METHODS OF USE THEREOF PDXK, ATP6V1B1, REN PIK3R1 4227/4885PIK3CA 1213/4885HRH3 1171/4885
US-20200095250-A1 PYRAZOLOPYRIMIDINE COMPOUNDS AND USES THEREOF ALK, FGFR1, FGFR2 PIK3R1 1068/4885PIK3CA 100/4885HRH3 2330/4885
US-20110152243-A1 NOVEL THIENOPYRROLE COMPOUNDS TPMT, TSLP, THPO PIK3R1 2430/4885PIK3CA 1400/4885HRH3 620/4885
US-20150073136-A1 PYRAZINONE DERIVATIVES CYP3A7, CYP3A4, CYP2D6 PIK3R1 1276/4885PIK3CA 1662/4885HRH3 467/4885
US-20130012523-A1 PYRAZINONE DERIVATIVES, PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF AND THEIR USES CYP3A7, CYP3A5, CYP2C19 PIK3R1 1526/4885PIK3CA 2091/4885HRH3 549/4885
US-20220017521-A1 PYRAZOLOPYRIMIDINE COMPOUNDS AND USES THEREOF ALK, FGFR1, FGFR2 PIK3R1 1068/4885PIK3CA 100/4885HRH3 2330/4885
US-20170210751-A1 PRMT5 INHIBITORS AND USES THEREOF PRMT5, PRMT1, PRMT6 PIK3R1 966/4885PIK3CA 1429/4885HRH3 1208/4885
US-11111247-B2 Pyrazolopyrimidine compounds and uses thereof ALK, FGFR1, FGFR2 PIK3R1 1068/4885PIK3CA 100/4885HRH3 2330/4885

“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.