SCHEMBL179300

SCHEMBL179300

CC(C)c1cnc(N2CCCC2)cn1

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.38
UBE2T Q9NPD8 1/20 0.38
ALDH1A1 P00352 1/20 0.37
LMNA P02545 1/20 0.37
ALOX12 P18054 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
CNR2 P34972 5/20 0.36
PANK3 Q9H999 1/20 0.35
KDM5B Q9UGL1 1/20 0.34
HRH4 Q9H3N8 1/20 0.34
IP6K1 Q92551 1/20 0.34
TLR9 Q9NR96 1/20 0.34
TLR8 Q9NR97 1/20 0.34
TLR7 Q9NYK1 1/20 0.34
SORD Q00796 1/20 0.33
SYK P43405 1/20 0.33

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
SCHEMBL179287 0.98 MAPT (0.39) MAPTUBE2TALDH1A1LMNAALOX12
SCHEMBL26141048 0.96 PANK3 (0.35) MAPTUBE2TALDH1A1LMNAALOX12
SCHEMBL179295 0.85 HRH4 (0.46) ALDH1A1HRH4
SCHEMBL179327 0.84 ALDH1A1 (0.45) MAPTALDH1A1LMNACNR2
SCHEMBL19105522 0.84 PLD1 (0.42) ALDH1A1HRH4TLR9TLR8TLR7
SCHEMBL18672392 0.82 MAPT (0.34) MAPTUBE2TALDH1A1LMNAALOX12
SCHEMBL179334 0.82 MAPT (0.46) MAPTALDH1A1LMNAHRH4
SCHEMBL25261187 0.81 SORD (0.37) MAPTUBE2TALDH1A1LMNAALOX12
SCHEMBL12638822 0.81 ALDH1A1 (0.36) MAPTUBE2TALDH1A1LMNAALOX12
SCHEMBL19117543 0.81 SOS1 (0.40) ALDH1A1CNR2PANK3KDM5B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240209000-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS INTELLIKINE LLC 2024-06-27 US disclosed
US-20240209000-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS INTELLIKINE LLC 2024-06-27 US disclosed
US-20230364097-A1 TREATMENT OF CANCERS USING PI3 KINASE ISOFORM MODULATORS INFINITY PHARMACEUTICALS, INC. (US) 2023-11-16 US disclosed
US-20230364097-A1 TREATMENT OF CANCERS USING PI3 KINASE ISOFORM MODULATORS INFINITY PHARMACEUTICALS, INC. (US) 2023-11-16 US disclosed
US-11433065-B2 Certain chemical entities, compositions and methods INTELLIKINE LLC (US) 2022-09-06 US disclosed
US-20210060022-A1 TREATMENT OF CANCERS USING PI3 KINASE ISOFORM MODULATORS INFINITY PHARMACEUTICALS, INC. 2021-03-04 US disclosed
US-20200222384-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS INTELLIKINE, INC. 2020-07-16 US disclosed
US-20190290636-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS INTELLIKINE LLC 2019-09-26 US disclosed
US-20180098983-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS INTELLIKINE, INC. 2018-04-12 US disclosed
US-20180098983-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS INTELLIKINE, INC. 2018-04-12 US disclosed
US-8193182-B2 Substituted isoquinolin-1(2H)-ones, and methods of use thereof INTELLIKINE, INC. (US) 2012-06-05 US 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
US-20110281866-A1 HETEROCYCLIC KINASE INHIBITORS INTELLIKINE, INC. (US) 2011-11-17 US disclosed
US-20110160232-A1 CERTAIN CHEMICAL ENTITIES AND THERAPEUTIC USES THEREOF INTELLIKINE LLC 2011-06-30 US disclosed
US-20110160232-A1 CERTAIN CHEMICAL ENTITIES AND THERAPEUTIC USES THEREOF INTELLIKINE LLC 2011-06-30 US disclosed
US-20110046165-A1 CERTAIN CHEMICAL ENTITLES, COMPOSITIONS AND METHODS INTELLIKINE LLC 2011-02-24 US disclosed
US-20090312319-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS INTELLIKINE 2009-12-17 US disclosed
US-20090312319-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS INTELLIKINE 2009-12-17 US disclosed
WO-2009088986-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS INTELLIKINE, INC. (US) 2009-07-16 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 (12 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-20090312319-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS PIK3CA, PIK3CG, PIK3CB MAPT 1903/4885UBE2T 3543/4885ALDH1A1 2185/4885
US-20120059000-A1 CHEMICAL COMPOUNDS, COMPOSITIONS AND METHODS FOR KINASE MODULATION MAP3K13, AKT3, PIK3CA MAPT 1518/4885UBE2T 3639/4885ALDH1A1 4410/4885
US-20180098983-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS PIK3CA, AKT3, PIK3C2A MAPT 2419/4885UBE2T 2848/4885ALDH1A1 3042/4885
US-20240209000-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS PIK3CA, PIK3CG, PIK3CD MAPT 1341/4885UBE2T 3373/4885ALDH1A1 2457/4885
US-20190290636-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS PIK3CA, PIK3CG, PIK3CB MAPT 1903/4885UBE2T 3543/4885ALDH1A1 2185/4885
US-20110160232-A1 CERTAIN CHEMICAL ENTITIES AND THERAPEUTIC USES THEREOF PIK3CA, PIK3C3, PRKACA MAPT 1095/4885UBE2T 3611/4885ALDH1A1 2209/4885
US-20110046165-A1 CERTAIN CHEMICAL ENTITLES, COMPOSITIONS AND METHODS PIK3CA, AKT3, PIK3C2A MAPT 1966/4885UBE2T 3028/4885ALDH1A1 2827/4885
US-20200222384-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS PIK3CA, AKT3, PIK3C2A MAPT 2419/4885UBE2T 2848/4885ALDH1A1 3042/4885
US-20210060022-A1 TREATMENT OF CANCERS USING PI3 KINASE ISOFORM MODULATORS PIK3CA, MCL1, PIK3CB MAPT 4555/4885UBE2T 3237/4885ALDH1A1 3671/4885
US-20230364097-A1 TREATMENT OF CANCERS USING PI3 KINASE ISOFORM MODULATORS PIK3CA, MCL1, PIK3CB MAPT 4584/4885UBE2T 3502/4885ALDH1A1 2702/4885
US-20110281866-A1 HETEROCYCLIC KINASE INHIBITORS MAP3K13, MAP3K3, CDK3 MAPT 2205/4885UBE2T 2710/4885ALDH1A1 3979/4885
US-11433065-B2 Certain chemical entities, compositions and methods PIK3CA, AKT3, PIK3C2A MAPT 2419/4885UBE2T 2848/4885ALDH1A1 3042/4885

“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.