SCHEMBL18529441

SCHEMBL18529441

Nc1ccc2[nH]ccc2c1Br

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
AHR P35869 3/20 0.47
CYP2A6 P11509 1/20 0.38
NR4A2 P43354 1/20 0.38
IMPDH2 P12268 1/20 0.37
PARP1 P09874 3/20 0.36
RECQL P46063 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
MAPK1 P28482 1/20 0.33
GPR84 Q9NQS5 1/20 0.33
HTR6 P50406 2/20 0.33
CSNK1D P48730 1/20 0.33
RHEB Q15382 2/20 0.33
PIK3CD O00329 1/20 0.32
PRKCI P41743 1/20 0.31
GFER P55789 1/20 0.31
CSNK2A1 P68400 1/20 0.31

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
SCHEMBL31432146 1.00 AHR (0.47) AHRCYP2A6NR4A2IMPDH2PARP1
Hydrochloric Acid SCHEMBL31432329 0.98 AHR (0.45) AHRCYP2A6NR4A2IMPDH2PARP1
SCHEMBL30949509 0.74 AHR (0.52) AHRCYP2A6NR4A2IMPDH2PARP1
SCHEMBL31431597 0.74 AHR (0.38) AHRPARP1RECQLTDP1MAPK1
SCHEMBL28906650 0.74 RHEB (0.40) AHRNR4A2IMPDH2PARP1RECQL
SCHEMBL2985458 0.74 AHR (0.38) AHRPARP1RECQLTDP1MAPK1
SCHEMBL724626 0.74 AHR (0.38) AHRPARP1RECQLTDP1MAPK1
SCHEMBL13065414 0.74 AHR (0.47) AHRCYP2A6NR4A2PARP1GPR84
SCHEMBL4388854 0.74 AHR (0.47) AHRCYP2A6NR4A2PARP1MAPK1
SCHEMBL63525 0.74 AHR (0.47) AHRCYP2A6NR4A2PARP1GPR84

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108349988-B Tricyclic heterocyclic compounds as phosphoinositide 3-kinase inhibitors 卡鲁斯治疗有限公司 2021-10-01 CN disclosed
US-10442815-B2 Tricyclic heterocyclic compounds as phosphoinositide 3-kinase inhibitors KARUS THERAPEUTICS LIMITED (GB) 2019-10-15 US disclosed
US-10442815-B2 Tricyclic heterocyclic compounds as phosphoinositide 3-kinase inhibitors KARUS THERAPEUTICS LIMITED (GB) 2019-10-15 US disclosed
US-20180244685-A1 TRICYCLIC HETEROCYCLIC COMPOUNDS AS PHOSPHOINOSITIDE 3-KINASE INHIBITORS CONVALIFE (SHANGHAI) CO. LIMITED (CN) 2018-08-30 US disclosed
CN-108349988-A tricyclic heterocyclic compounds as phosphoinositide 3-kinase inhibitor 卡鲁斯治疗有限公司 2018-07-31 CN disclosed
EP-3337807-A1 TRICYCLIC HETEROCYCLIC COMPOUNDS AS PHOSPHOINOSITIDE 3-KINASE INHIBITORS Karus Therapeutics Ltd (GB) 2018-06-27 EP disclosed
WO-2017029521-A1 TRICYCLIC HETEROCYCLIC COMPOUNDS AS PHOSPHOINOSITIDE 3-KINASE INHIBITORS KARUS THERAPEUTICS LTD (GB) 2017-02-23 WO disclosed
WO-2017029521-A1 TRICYCLIC HETEROCYCLIC COMPOUNDS AS PHOSPHOINOSITIDE 3-KINASE INHIBITORS KARUS THERAPEUTICS LTD (GB) 2017-02-23 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 (2 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-20180244685-A1 TRICYCLIC HETEROCYCLIC COMPOUNDS AS PHOSPHOINOSITIDE 3-KINASE INHIBITORS PIK3CD, PIK3CA, PIK3C2B AHR 4503/4885CYP2A6 3691/4885NR4A2 4701/4885
US-10442815-B2 Tricyclic heterocyclic compounds as phosphoinositide 3-kinase inhibitors PIK3CD, PIK3CA, PIK3C2B AHR 4503/4885CYP2A6 3691/4885NR4A2 4701/4885

“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.