SCHEMBL16629909

SCHEMBL16629909

Nc1cc2nncn2cn1

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PLK4 O00444 1/20 0.42
JAK2 O60674 1/20 0.42
RET P07949 1/20 0.42
PIM1 P11309 1/20 0.42
FGFR1 P11362 1/20 0.42
FLT1 P17948 1/20 0.42
KDR P35968 1/20 0.42
FLT3 P36888 1/20 0.42
PIM3 Q86V86 1/20 0.42
ALK Q9UM73 1/20 0.42
SUV39H2 Q9H5I1 2/20 0.35
CBLB Q13191 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
SCHEMBL25214409 0.74
SCHEMBL17804189 0.74 ABL1 (0.40)
SCHEMBL2396040 0.70 DYRK1A (0.43) PLK4JAK2RETPIM1FGFR1
SCHEMBL20852790 0.69 HTT (0.30)
SCHEMBL20852902 0.69 KDM4E (0.31)
SCHEMBL24167222 0.69 MLLT1 (0.33)
SCHEMBL20605372 0.68 EGFR (0.35) SUV39H2
SCHEMBL25210616 0.67 PIK3CA (0.30)
Hydrochloric Acid SCHEMBL22124411 0.67 TLR9 (0.36) SUV39H2
SCHEMBL23465715 0.65 MAPK1 (0.38)

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 17 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-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-9359365-B2 Heterocyclic compounds and uses thereof INFINITY PHARMACEUTICALS, INC. (US) 2016-06-07 US disclosed
US-9359365-B2 Heterocyclic compounds and uses thereof INFINITY PHARMACEUTICALS, INC. (US) 2016-06-07 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
US-20150111874-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF TWELVE THERAPEUTICS, INC. 2015-04-23 US disclosed
US-20150111874-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF TWELVE THERAPEUTICS, INC. 2015-04-23 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 (9 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 PLK4 310/4885JAK2 51/4885RET 652/4885
US-10329299-B2 Heterocyclic compounds and uses thereof PIK3CA, AKT1, AKT2 PLK4 469/4885JAK2 58/4885RET 776/4885
US-11541059-B2 Heterocyclic compounds and uses thereof PIK3CA, PIK3CD, PIK3CB PLK4 310/4885JAK2 51/4885RET 652/4885
US-20150290207-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF PIK3CA, PIK3CD, PIK3CB PLK4 310/4885JAK2 51/4885RET 652/4885
US-20150225410-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF PIK3CA, PIK3CD, PIK3CB PLK4 310/4885JAK2 51/4885RET 652/4885
US-20210000837-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF PIK3CA, PIK3CD, PIK3CB PLK4 310/4885JAK2 51/4885RET 652/4885
US-20180055852-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF PIK3CA, PIK3CD, PIK3CB PLK4 310/4885JAK2 51/4885RET 652/4885
US-20150111874-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF PIK3CA, PIK3CD, PIK3CB PLK4 310/4885JAK2 51/4885RET 652/4885
US-20180044346-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF PIK3CA, PIK3CD, PIK3CB PLK4 310/4885JAK2 51/4885RET 652/4885

“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.