SCHEMBL21801508

SCHEMBL21801508

O=c1ccc(Br)cn1C1CCOC1

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAP4K1 Q92918 1/20 0.38
ADORA2A P29274 1/20 0.37
ADORA2B P29275 1/20 0.37
ADORA1 P30542 1/20 0.37
ATR Q13535 2/20 0.36
PIK3CA P42336 1/20 0.34
HTR3A P46098 6/20 0.33
IL4I1 Q96RQ9 1/20 0.33
KRAS P01116 2/20 0.32
SOS1 Q07889 2/20 0.32
HCAR1 Q9BXC0 1/20 0.32
IL1B P01584 2/20 0.32
P2RX7 Q99572 2/20 0.32
NPY5R Q15761 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
SCHEMBL14718723 0.90 HCAR1 (0.39) MAP4K1KRASSOS1HCAR1
SCHEMBL9988615 0.86
SCHEMBL589967 0.81 BMPR1B (0.35)
SCHEMBL14718456 0.78 BMPR1B (0.38) ATRHCAR1
SCHEMBL22655381 0.78 BMPR1B (0.38) HCAR1
SCHEMBL3803722 0.76 MAP4K1 (0.37) MAP4K1PIK3CAHTR3AIL4I1KRAS
SCHEMBL3790993 0.76 MAP4K1 (0.37) MAP4K1PIK3CAHTR3AIL4I1KRAS
SCHEMBL3790997 0.76 MAP4K1 (0.37) MAP4K1PIK3CAHTR3AIL4I1KRAS
SCHEMBL20709985 0.74 PIK3CA (0.42) MAP4K1PIK3CAHTR3A
SCHEMBL925592 0.73 IL4I1 (0.41) MAP4K1HTR3AIL4I1NPY5R

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-4185584-A1 SREBP INHIBITORS COMPRISING A THIOPHENE CENTRAL RING Capulus Therapeutics, LLC (US) 2023-05-31 EP disclosed
US-11629147-B2 Triazolo-pyrimidine compounds and uses thereof DIZAL (JIANGSU) PHARMACEUTICAL CO., LTD. (CN) 2023-04-18 US disclosed
CN-111635408-B Triazolo-pyrimidine compounds and uses thereof 迪哲(江苏)医药股份有限公司 2022-07-22 CN disclosed
EP-3849983-A1 TRIAZOLO-PYRIMIDINE COMPOUNDS AND USES THEREOF DIZAL (JIANGSU) PHARMACEUTICAL CO., LTD (CN) 2021-07-21 EP disclosed
CN-112279852-A Triazolo-pyrimidine compounds and uses thereof 迪哲(江苏)医药股份有限公司 2021-01-29 CN disclosed
US-20210009600-A1 TRIAZOLO-PYRIMIDINE COMPOUNDS AND USES THEREOF DIZAL JIANGSU PHARMACEUTICAL CO LTD (CN) 2021-01-14 US disclosed
US-10858365-B2 Triazolo-pyrimidine compounds and uses thereof DIZAL JIANGSU PHARMACEUTICAL CO LTD (CN) 2020-12-08 US disclosed
US-20200331918-A1 TRIAZOLO-PYRIMIDINE COMPOUNDS AND USES THEREOF DIZAL JIANGSU PHARMACEUTICAL CO LTD (CN) 2020-10-22 US disclosed
CN-111635408-A Triazolo-pyrimidine compounds and uses thereof 迪哲(江苏)医药有限公司 2020-09-08 CN disclosed
CN-111601809-A Triazolo-pyrimidine compounds and uses thereof 迪哲(江苏)医药有限公司 2020-08-28 CN disclosed
WO-2020052631-A1 TRIAZOLO-PYRIMIDINE COMPOUNDS AND USES THEREOF DIZAL (JIANGSU) PHARMACEUTICAL CO., LTD. (CN) 2020-03-19 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-20210009600-A1 TRIAZOLO-PYRIMIDINE COMPOUNDS AND USES THEREOF ADORA2A, ADORA3, ADORA2B MAP4K1 1776/4885ADORA2A 1/4885ADORA2B 3/4885
US-11629147-B2 Triazolo-pyrimidine compounds and uses thereof ADORA2A, ADORA3, ADORA2B MAP4K1 1776/4885ADORA2A 1/4885ADORA2B 3/4885
US-10858365-B2 Triazolo-pyrimidine compounds and uses thereof ADORA2A, ADORA3, ADORA2B MAP4K1 1776/4885ADORA2A 1/4885ADORA2B 3/4885
US-20200331918-A1 TRIAZOLO-PYRIMIDINE COMPOUNDS AND USES THEREOF ADORA2A, ADORA3, ADORA2B MAP4K1 1776/4885ADORA2A 1/4885ADORA2B 3/4885

“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.