SCHEMBL5076850

SCHEMBL5076850

OCCNc1ncnc2ccc(Br)cc12

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 7/20 1.00
MAPT P10636 2/20 1.00
HTT P42858 8/20 0.73
CCNC P24863 1/20 0.73
CDK8 P49336 1/20 0.73
ALDH1A1 P00352 3/20 0.62
KDM4E B2RXH2 3/20 0.62
HPGD P15428 2/20 0.62
MTOR P42345 1/20 0.62
NCOA1 Q15788 1/20 0.62
NCOA3 Q9Y6Q9 1/20 0.62
RXFP1 Q9HBX9 2/20 0.62
SMN1; SMN2 Q16637 4/20 0.61
CD38 P28907 1/20 0.59
TSHR P16473 1/20 0.56
MAPK1 P28482 1/20 0.56
NOD2 Q9HC29 1/20 0.56
ALK Q9UM73 1/20 0.55
EGFR P00533 2/20 0.54
L3MBTL1 Q9Y468 3/20 0.51

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
SCHEMBL13283258 0.91 LMNA (0.83) LMNAMAPTHTTCCNCCDK8
SCHEMBL13283187 0.86 LMNA (0.75) LMNAMAPTHTTCCNCCDK8
SCHEMBL13874409 0.84 HTT (0.73) LMNAMAPTHTTCCNCCDK8
SCHEMBL4359487 0.84 HTT (1.00) LMNAMAPTHTTCCNCCDK8
SCHEMBL1585442 0.83 LMNA (0.71) LMNAMAPTHTTCCNCCDK8
SCHEMBL19723126 0.83 LMNA (0.71) LMNAMAPTHTTCCNCCDK8
SCHEMBL13621683 0.82 RXFP1 (0.79) LMNAMAPTHTTCCNCCDK8
SCHEMBL4359385 0.82 HTT (0.83) LMNAMAPTHTTCCNCCDK8
SCHEMBL13283185 0.81 HTT (0.68) LMNAMAPTHTTCCNCCDK8
SCHEMBL13621680 0.81 HTT (0.72) LMNAMAPTHTTCCNCCDK8

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
US-12590062-B2 PD-1/PD-L1 inhibitors GILEAD SCIENCES, INC. (US) 2026-03-31 US disclosed
EP-4026835-A2 PD-1/PD-L1 INHIBITORS Gilead Sciences, Inc. (US) 2022-07-13 EP disclosed
EP-4026835-A2 PD-1/PD-L1 INHIBITORS Gilead Sciences, Inc. (US) 2022-07-13 EP disclosed
US-20210323922-A1 PD-1/PD-L1 INHIBITORS GILEAD SCIENCES, INC. (US) 2021-10-21 US disclosed
CN-110799509-A PD-1/PD-L1 inhibitors 吉利德科学公司 2020-02-14 CN disclosed
US-20180305315-A1 PD-1/PD-L1 INHIBITORS GILEAD SCIENCES, INC. 2018-10-25 US disclosed
US-8431695-B2 Pyrrolo[2,1-f][1,2,4]triazin-4-ylamines IGF-1R kinase inhibitors for the treatment of cancer and other hyperproliferative diseases BAYER INTELLECTUAL PROPERTY GMBH (DE) 2013-04-30 US disclosed
EP-1945222-B1 PYRROLO[2,1-F] [1,2,4]-TRIAZIN-4-YLAMINES AS IGF-1R KINASE INHIBITORS FOR THE TREATMENT OF CANCER AND OTHER HYPERPROLIFERATIVE DISEASES Bayer Pharma AG (DE) 2012-12-26 EP disclosed
US-20110294776-A1 Pyrrolo[2,1-F] [1,2,4] Triazin-4-Ylamines IGF-1R Kinase Inhibitors for the Treatment of Cancer and Other Hyperproliferative Diseases BAYER HEALTHCARE AG (DE) 2011-12-01 US disclosed
US-20100190807-A1 CDKI Pathway inhibitors and uses thereof to regulate expression to TAU protein SENEX BIOTECHNOLOGY, INC. 2010-07-29 US disclosed
US-20090281129-A1 CDKI PATHWAY INHIBITORS AND USES THEREOF SENEX BIOTECHNOLOGY, INC. 2009-11-12 US disclosed
EP-1945222-A2 PYRROLO[2,1-F] [1,2,4] TRIAZIN-4-YLAMINES IGF-1R KINASE INHIBITORS FOR THE TREATMENT OF CANCER AND OTHER HYPERPROLIFERATIVE DISEASES Bayer HealthCare AG (DE) 2008-07-23 EP disclosed
US-20080033000-A1 Identification of CDKI pathway inhibitors SENEX BIOTECHNOLOGY, INC. 2008-02-07 US disclosed
WO-2007056170-A2 PYRROLO[2,1-F] [1,2,4] TRIAZIN-4-YLAMINES IGF-1R KINASE INHIBITORS FOR THE TREATMENT OF CANCER AND OTHER HYPERPROLIFERATIVE DISEASES BAYER HEALTHCARE AG (DE) 2007-05-18 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 (7 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-20210323922-A1 PD-1/PD-L1 INHIBITORS CD274, PDCD1, PDCD1LG2 LMNA 2411/4885MAPT 3105/4885HTT 4182/4885
US-20110294776-A1 Pyrrolo[2,1-F] [1,2,4] Triazin-4-Ylamines IGF-1R Kinase Inhibitors for the Treatment of Cancer and Other Hyperproliferative Diseases IGF1R, FGFR1, IGFBP1 LMNA 1964/4885MAPT 3445/4885HTT 1817/4885
US-20100190807-A1 CDKI Pathway inhibitors and uses thereof to regulate expression to TAU protein MAPT, CDK5, CDKN1A LMNA 2105/4885MAPT 1/4885HTT 292/4885
US-20090281129-A1 CDKI PATHWAY INHIBITORS AND USES THEREOF CDKN1A, CDK6, CCNI LMNA 1622/4885MAPT 1424/4885HTT 930/4885
US-12590062-B2 PD-1/PD-L1 inhibitors CD274, PDCD1LG2, PDCD1 LMNA 1139/4885MAPT 3763/4885HTT 4067/4885
US-20080033000-A1 Identification of CDKI pathway inhibitors CDKN1A, CDK6, CDK2 LMNA 1521/4885MAPT 1548/4885HTT 1550/4885
US-20180305315-A1 PD-1/PD-L1 INHIBITORS CD274, PDCD1, PDCD1LG2 LMNA 2411/4885MAPT 3105/4885HTT 4182/4885

“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.