SCHEMBL20741503

SCHEMBL20741503

Nc1ccc2cc(-c3ccccc3)cnc2c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TLR9 Q9NR96 2/20 0.58
PDGFRB P09619 4/20 0.53
PDGFRA P16234 4/20 0.53
KMT2A Q03164 2/20 0.51
ATM Q13315 1/20 0.51
BACE1 P56817 1/20 0.50
HTR3A P46098 1/20 0.50
ESR2 Q92731 1/20 0.50
EGFR P00533 1/20 0.49
MEN1 O00255 1/20 0.48
F2 P00734 1/20 0.48
LMNA P02545 1/20 0.48
CHRM2 P08172 1/20 0.48
HTR1A P08908 1/20 0.48
ADRA2A P08913 1/20 0.48
ADORA3 P0DMS8 1/20 0.48
MAOA P21397 1/20 0.48
DRD1 P21728 1/20 0.48
ACHE P22303 1/20 0.48
PTGS1 P23219 1/20 0.48

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
SCHEMBL14906625 0.86 TLR9 (0.58) TLR9PDGFRBPDGFRAKMT2AATM
SCHEMBL28191718 0.83 ESR2 (0.59) PDGFRBPDGFRABACE1ESR2CYP2A6
SCHEMBL19943005 0.80 PDGFRB (0.66) PDGFRBPDGFRAKMT2AATMHTR3A
SCHEMBL30722842 0.80 PDGFRB (0.66) PDGFRBPDGFRAKMT2AATMHTR3A
SCHEMBL21630183 0.79 CTSD (0.56) TLR9PDGFRBPDGFRAKMT2AATM
SCHEMBL708999 0.79 PDGFRB (0.75) PDGFRBPDGFRACYP2A6CA12CA1
SCHEMBL5667402 0.79 PDGFRB (0.73) PDGFRBPDGFRAESR2ADORA3CYP2A6
SCHEMBL20759765 0.79 PSMB5 (0.63) PDGFRBPDGFRAESR2ADORA3CYP2A6
SCHEMBL30644240 0.79 PDGFRB (0.73) PDGFRBPDGFRAESR2ADORA3CYP2A6
SCHEMBL26560544 0.79 PDGFRB (0.64) PDGFRBPDGFRABACE1ESR2CYP2A6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11555026-B2 AHR inhibitors and uses thereof Ikena Oncology, Inc. (US) 2023-01-17 US disclosed
CN-109776335-B Amine derivative of pyrene, preparation method, application and device thereof 武汉尚赛光电科技有限公司 2022-03-18 CN disclosed
US-20210017153-A1 AHR INHIBITORS AND USES THEREOF PAHR THERAPEUTICS, INC. 2021-01-21 US disclosed
US-20210017153-A1 AHR INHIBITORS AND USES THEREOF PAHR THERAPEUTICS, INC. 2021-01-21 US disclosed
US-10696650-B2 AHR inhibitors and uses thereof Ikena Oncology, Inc. (US) 2020-06-30 US disclosed
US-10696650-B2 AHR inhibitors and uses thereof Ikena Oncology, Inc. (US) 2020-06-30 US disclosed
EP-3668496-A1 AHR INHIBITORS AND USES THEREOF Ikena Oncology, Inc. (US) 2020-06-24 EP disclosed
CN-111163766-A AHR inhibitors and uses thereof 医肯纳肿瘤学公司 2020-05-15 CN disclosed
CN-109776335-A Amine derivant of pyrene and preparation method thereof, application and device 武汉尚赛光电科技有限公司 2019-05-21 CN disclosed
US-20190055218-A1 AHR INHIBITORS AND USES THEREOF PAHR THERAPEUTICS, INC. 2019-02-21 US disclosed
US-20190055218-A1 AHR INHIBITORS AND USES THEREOF PAHR THERAPEUTICS, INC. 2019-02-21 US disclosed
WO-2019036657-A1 AHR INHIBITORS AND USES THEREOF KYN THERAPEUTICS (US) 2019-02-21 WO disclosed
WO-2019036657-A1 AHR INHIBITORS AND USES THEREOF KYN THERAPEUTICS (US) 2019-02-21 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 (4 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-11555026-B2 AHR inhibitors and uses thereof AHR, ARNT, AIPL1 TLR9 865/4885PDGFRB 937/4885PDGFRA 1392/4885
US-20210017153-A1 AHR INHIBITORS AND USES THEREOF AHR, ARNT, AIPL1 TLR9 865/4885PDGFRB 937/4885PDGFRA 1392/4885
US-10696650-B2 AHR inhibitors and uses thereof AHR, ARNT, AIPL1 TLR9 865/4885PDGFRB 937/4885PDGFRA 1392/4885
US-20190055218-A1 AHR INHIBITORS AND USES THEREOF AHR, ARNT, AIPL1 TLR9 865/4885PDGFRB 937/4885PDGFRA 1392/4885

“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.