SCHEMBL16059334

SCHEMBL16059334

c1cc2c3c(c1)ncn3CCO2

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 1/20 0.44
DRD2 P14416 2/20 0.37
DRD3 P35462 2/20 0.37
HTR2A P28223 1/20 0.36
HTR2C P28335 1/20 0.36
HTR3A P46098 1/20 0.36
MCL1 Q07820 1/20 0.35
ITGB2 P05107 1/20 0.34
ICAM1 P05362 1/20 0.34
ITGAL P20701 1/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
HTR1A P08908 1/20 0.33
PIK3CA P42336 1/20 0.33
FGFR1 P11362 1/20 0.33
NOTUM Q6P988 1/20 0.32
LIPG Q9Y5X9 1/20 0.32
HTT P42858 3/20 0.31
LMNA P02545 2/20 0.31
CRHBP P24387 2/20 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
SCHEMBL30096583 1.00 PARP1 (0.44) PARP1DRD2DRD3HTR2AHTR2C
SCHEMBL29549652 0.82 PARP1 (0.36) PARP1DRD2DRD3HTR3ANPC1
SCHEMBL19751544 0.73 PIK3CA (0.37) PIK3CAPIK3CB
SCHEMBL18614540 0.73 PIK3CA (0.38) PIK3CAHTTLMNAPIK3CB
SCHEMBL15828690 0.70 MAT2A (0.34) PIK3CAPIK3CB
SCHEMBL2038155 0.68 PARP1 (0.41) PARP1HTR2AHTR2CHTR3AMCL1
SCHEMBL30023373 0.68 PARP1 (0.41) PARP1HTR2AHTR2CHTR3AMCL1
SCHEMBL979553 0.67 HTR2A (0.40) HTR2AHTR2CMCL1ITGB2ICAM1
SCHEMBL405139 0.67 DRD2 (0.48) PARP1DRD2DRD3HTR2AHTR2C
SCHEMBL406231 0.66 DRD2 (0.47) PARP1DRD2DRD3HTR2AHTR2C

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
EP-3194406-A1 TRICYCLIC HETEROCYCLES FOR USE AS BET PROTEIN INHIBITORS Incyte Holdings Corporation (US) 2017-07-26 EP claimed
WO-2016044130-A1 TRICYCLIC HETEROCYCLES FOR USE AS BET PROTEIN INHIBITORS INCYTE CORPORATION (US) 2016-03-24 WO claimed
US-11535633-B2 Fused tricyclic heterocycle compounds and therapeutic uses thereof JIANGSU HENGRUI MEDICINE CO., LTD. (CN) 2022-12-27 US disclosed
US-20220213086-A1 AZOLE COMPOUNDS AS IRAK INHIBITORS, PREPARATION METHODS AND MEDICINAL USES THEREOF Eternity Bioscience Inc. 2022-07-07 US disclosed
US-20220169645-A1 COMPOUNDS AS BRUTON TYROSINE KINASE INHIBITORS, PREPARATION METHODS AND MEDICAL APPLICATIONS THEREOF Eternity Bioscience Inc. 2022-06-02 US disclosed
US-11332492-B2 CD73 inhibitors and therapeutic uses thereof JIANGSU HENGRUI MEDICINE CO., LTD. (CN) 2022-05-17 US disclosed
US-20220135539-A1 BIARYL AMIDE COMPOUNDS, PREPARATION METHODS AND MEDICAL APPLICATIONS THEREOF Eternity Bioscience Inc. 2022-05-05 US disclosed
US-20220009909-A1 ADAMTS INHIBITORS, PREPARATION METHODS AND MEDICINAL USES THEREOF Eternity Bioscience Inc. 2022-01-13 US disclosed
US-20220009910-A1 TYROSINE KINASE 2 INHIBITORS, PREPARATION METHODS AND MEDICINAL USES THEREOF Eternity Bioscience Inc. 2022-01-13 US disclosed
US-20220002267-A1 TYROSINE KINASE 2 INHIBITORS, PREPARATION METHODS AND MEDICINAL USES THEREOF Eternity Bioscience Inc. 2022-01-06 US disclosed
US-20210300944-A1 FUSED TRICYCLIC HETEROCYCLE COMPOUNDS AND THERAPEUTIC USES THEREOF JIANGSU HENGRUI MEDICINE CO., LTD. (CN) 2021-09-30 US disclosed
US-20210253621-A1 CD73 INHIBITORS AND THERAPEUTIC USES THEREOF SHANGHAI HENGRUI PHARMACEUTICAL CO., LTD. (CN) 2021-08-19 US disclosed
EP-2970282-A1 TRICYCLIC HETEROCYCLES AS BET PROTEIN INHIBITORS Incyte Corporation (US) 2016-01-20 EP disclosed
WO-2014143768-A1 TRICYCLIC HETEROCYCLES AS BET PROTEIN INHIBITORS INCYTE CORPORATION (US) 2014-09-18 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 (10 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-20220002267-A1 TYROSINE KINASE 2 INHIBITORS, PREPARATION METHODS AND MEDICINAL USES THEREOF TYK2, ABL1, PTK2B PARP1 1819/4885DRD2 4858/4885DRD3 4877/4885
US-20210253621-A1 CD73 INHIBITORS AND THERAPEUTIC USES THEREOF ENTPD5, ENTPD1, NT5E PARP1 319/4885DRD2 4713/4885DRD3 4745/4885
US-11535633-B2 Fused tricyclic heterocycle compounds and therapeutic uses thereof STING1, CGAS, MAVS PARP1 444/4885DRD2 4636/4885DRD3 4462/4885
US-20220213086-A1 AZOLE COMPOUNDS AS IRAK INHIBITORS, PREPARATION METHODS AND MEDICINAL USES THEREOF IRAK2, IRAK4, IRAK3 PARP1 952/4885DRD2 4884/4885DRD3 4879/4885
US-11332492-B2 CD73 inhibitors and therapeutic uses thereof ENTPD5, ENTPD1, NT5E PARP1 319/4885DRD2 4713/4885DRD3 4745/4885
US-20220135539-A1 BIARYL AMIDE COMPOUNDS, PREPARATION METHODS AND MEDICAL APPLICATIONS THEREOF BRAF, NRAS, RAF1 PARP1 1945/4885DRD2 4867/4885DRD3 4854/4885
US-20220009910-A1 TYROSINE KINASE 2 INHIBITORS, PREPARATION METHODS AND MEDICINAL USES THEREOF TYK2, PTK2B, LCK PARP1 1722/4885DRD2 4840/4885DRD3 4861/4885
US-20220169645-A1 COMPOUNDS AS BRUTON TYROSINE KINASE INHIBITORS, PREPARATION METHODS AND MEDICAL APPLICATIONS THEREOF BTK, LYN, LCK PARP1 1789/4885DRD2 4868/4885DRD3 4858/4885
US-20220009909-A1 ADAMTS INHIBITORS, PREPARATION METHODS AND MEDICINAL USES THEREOF ADAMTS5, ADAMTS4, ADAMTS1 PARP1 1422/4885DRD2 4884/4885DRD3 4881/4885
US-20210300944-A1 FUSED TRICYCLIC HETEROCYCLE COMPOUNDS AND THERAPEUTIC USES THEREOF STING1, CGAS, MAVS PARP1 444/4885DRD2 4636/4885DRD3 4462/4885

“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.