SCHEMBL16664208

SCHEMBL16664208

Cc1c(N)ncn2cnnc12

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.49
CYP1A2 P05177 2/20 0.35
KDM4E B2RXH2 2/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
ALPG P10696 1/20 0.35
HSD17B10 Q99714 1/20 0.35
ALDH1A1 P00352 2/20 0.34
GAA P10253 1/20 0.34
TSHR P16473 1/20 0.34
CYP2C9 P11712 1/20 0.33
MAPK1 P28482 1/20 0.33
CYP2C19 P33261 1/20 0.33
ATM Q13315 1/20 0.33
NOS3 P29474 1/20 0.33
NOS2 P35228 1/20 0.33
MAPT P10636 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
SCHEMBL20605565 0.76 HTT (0.49) HTTCYP1A2KDM4EMEN1KMT2A
SCHEMBL16664209 0.72 NUDT1 (0.52) NOS3NOS2
SCHEMBL20605437 0.68 HTT (0.36) HTTKDM4EMEN1KMT2AALDH1A1
SCHEMBL24284143 0.67 ADORA2A (0.35) KDM4EHSD17B10ALDH1A1TSHR
SCHEMBL21082025 0.65 NUDT1 (0.59) HTTCYP1A2CYP2C9MAPK1CYP2C19
SCHEMBL20704021 0.64 HTT (0.38) HTTKDM4EMEN1KMT2AALDH1A1
SCHEMBL25153043 0.64 KDM4E (0.53) HTTCYP1A2KDM4EMEN1KMT2A
SCHEMBL13738007 0.60 JAK1 (0.47) CYP1A2KDM4EMEN1KMT2AALPG
SCHEMBL21287549 0.59 ADORA2A (0.38) KDM4ENOS3NOS2MAPT
SCHEMBL16629909 0.58 PLK4 (0.42)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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-9751888-B2 Heterocyclic compounds and uses thereof INFINITY PHARMACEUTICALS, INC. (US) 2017-09-05 US disclosed
US-9708348-B2 Trisubstituted bicyclic heterocyclic compounds with kinase activities and uses thereof INFINITY PHARMACEUTICALS, INC. (US) 2017-07-18 US disclosed
US-20160222016-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF TWELVE THERAPEUTICS, INC. 2016-08-04 US disclosed
US-9359365-B2 Heterocyclic compounds and uses thereof INFINITY PHARMACEUTICALS, INC. (US) 2016-06-07 US disclosed
US-20160122365-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF TWELVE THERAPEUTICS, INC. 2016-05-05 US disclosed
US-20150290207-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF TWELVE THERAPEUTICS, INC. 2015-10-15 US 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

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-20160122365-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF PIK3CA, PIK3CD, PIK3CB HTT 823/4885CYP1A2 2099/4885KDM4E 3893/4885
US-20150290207-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF PIK3CA, PIK3CD, PIK3CB HTT 823/4885CYP1A2 2099/4885KDM4E 3893/4885
US-20150225410-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF PIK3CA, PIK3CD, PIK3CB HTT 823/4885CYP1A2 2099/4885KDM4E 3893/4885
US-20160222016-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF PIK3CA, PIK3CD, PIK3CB HTT 823/4885CYP1A2 2099/4885KDM4E 3893/4885
US-20150111874-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF PIK3CA, PIK3CD, PIK3CB HTT 823/4885CYP1A2 2099/4885KDM4E 3893/4885

“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.