SCHEMBL16629908

SCHEMBL16629908

Cc1nc(N)cc2nccn12

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 1/20 0.40
BTK Q06187 1/20 0.35
PIK3CG P48736 1/20 0.34
IGF1R P08069 1/20 0.34
NOS2 P35228 4/20 0.33
NOS3 P29474 3/20 0.33
NOS1 P29475 2/20 0.33
TSHR P16473 1/20 0.33
FLT1 P17948 1/20 0.33
CDK8 P49336 1/20 0.33
CDK9 P50750 1/20 0.33
LIMK1 P53667 1/20 0.33
ROCK1 Q13464 1/20 0.33
CLK4 Q9HAZ1 1/20 0.33
CHRM4 P08173 1/20 0.33
ADORA2A P29274 2/20 0.33
PRMT5 O14744 1/20 0.33
KDM4E B2RXH2 2/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32

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
SCHEMBL13153127 0.80 PDE2A (0.39) DYRK1ABTKFLT1CDK8CDK9
SCHEMBL24174399 0.77 KDM4E (0.41) DYRK1AFLT1CDK8CDK9LIMK1
SCHEMBL10270150 0.77 ADORA2A (0.35) DYRK1ABTKFLT1CDK8CDK9
SCHEMBL27360958 0.77 ABL1 (0.40) DYRK1APIK3CGNOS2NOS3NOS1
SCHEMBL463424 0.69 BTK (0.50) BTKIGF1RABL1SRC
SCHEMBL9611703 0.67 CDK8 (0.44) DYRK1AFLT1CDK8CDK9LIMK1
SCHEMBL20618670 0.67 PDE2A (0.39) FLT1CDK8CDK9LIMK1ROCK1
SCHEMBL259910 0.65 KDM4E (0.41) DYRK1AFLT1CDK8CDK9LIMK1
SCHEMBL10276341 0.65 ADORA2A (0.35) DYRK1AFLT1CDK8CDK9LIMK1
SCHEMBL28873688 0.65 ADORA2A (0.37) DYRK1AFLT1CDK8CDK9LIMK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11541059-B2 Heterocyclic compounds and uses thereof INFINITY PHARMACEUTICALS, INC. (US) 2023-01-03 US disclosed
EP-4066834-A1 HETEROCYCLIC COMPOUNDS FOR USE IN THE TREATMENT OF PI3K-GAMMA MEDIATED DISORDERS Infinity Pharmaceuticals, Inc. (US) 2022-10-05 EP disclosed
US-20210000837-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF TWELVE THERAPEUTICS, INC. 2021-01-07 US disclosed
US-10675286-B2 Heterocyclic compounds and uses thereof INFINITY PHARMACEUTICALS, INC. (US) 2020-06-09 US disclosed
US-10329299-B2 Heterocyclic compounds and uses thereof INFINITY PHARMACEUTICALS, INC. (US) 2019-06-25 US disclosed
US-20180055852-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF TWELVE THERAPEUTICS, INC. 2018-03-01 US disclosed
US-20180055852-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF TWELVE THERAPEUTICS, INC. 2018-03-01 US disclosed
US-20180044346-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF TWELVE THERAPEUTICS, INC. 2018-02-15 US disclosed
US-9828377-B2 Heterocyclic compounds and uses thereof INFINITY PHARMACEUTICALS, INC. (US) 2017-11-28 US disclosed
US-9775844-B2 Heterocyclic compounds and uses thereof INFINITY PHARMACEUTICALS, INC. (US) 2017-10-03 US disclosed
US-20150290207-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF TWELVE THERAPEUTICS, INC. 2015-10-15 US disclosed
WO-2015143012-A1 HETEROCYCLIC COMPOUNDS FOR USE IN THE TREATMENT OF PI3K-GAMMA MEDIATED DISORDERS INFINITY PHARMACEUTICALS, INC. (US) 2015-09-24 WO disclosed
US-20150225410-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF TWELVE THERAPEUTICS, INC. 2015-08-13 US disclosed
WO-2015051244-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF INFINITY PHARMACEUTICALS, INC. (US) 2015-04-09 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 (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-10675286-B2 Heterocyclic compounds and uses thereof PIK3CA, PIK3CD, PIK3CB DYRK1A 1783/4885BTK 81/4885PIK3CG 7/4885
US-10329299-B2 Heterocyclic compounds and uses thereof PIK3CA, AKT1, AKT2 DYRK1A 2738/4885BTK 125/4885PIK3CG 11/4885
US-11541059-B2 Heterocyclic compounds and uses thereof PIK3CA, PIK3CD, PIK3CB DYRK1A 1783/4885BTK 81/4885PIK3CG 7/4885
US-20150290207-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF PIK3CA, PIK3CD, PIK3CB DYRK1A 1783/4885BTK 81/4885PIK3CG 7/4885
US-20150225410-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF PIK3CA, PIK3CD, PIK3CB DYRK1A 1783/4885BTK 81/4885PIK3CG 7/4885
US-20210000837-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF PIK3CA, PIK3CD, PIK3CB DYRK1A 1783/4885BTK 81/4885PIK3CG 7/4885
US-20180055852-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF PIK3CA, PIK3CD, PIK3CB DYRK1A 1783/4885BTK 81/4885PIK3CG 7/4885
US-20180044346-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF PIK3CA, PIK3CD, PIK3CB DYRK1A 1783/4885BTK 81/4885PIK3CG 7/4885

“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.