SCHEMBL660557

SCHEMBL660557

C[C@]1(O)CC[C@@H](n2cc(I)cn2)CC1

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MPO P05164 1/20 0.50
BMPR1A P36894 1/20 0.38
ACVRL1 P37023 1/20 0.38
ACVR1 Q04771 1/20 0.38
ACHE P22303 3/20 0.35
ESR2 Q92731 1/20 0.34
CPB2 Q96IY4 1/20 0.32
IDH1 O75874 1/20 0.31
IDH2 P48735 1/20 0.31
ADORA2A P29274 2/20 0.31
ADORA2B P29275 2/20 0.31
CHRNB2 P17787 1/20 0.31
CHRNA4 P43681 1/20 0.31
KDM1A O60341 1/20 0.30
JAK1 P23458 1/20 0.30
JAK3 P52333 1/20 0.30
TTK P33981 1/20 0.30
PRKDC P78527 1/20 0.30

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
SCHEMBL659819 1.00 MPO (0.50) MPOBMPR1AACVRL1ACVR1ACHE
SCHEMBL659820 1.00 MPO (0.50) MPOBMPR1AACVRL1ACVR1ACHE
SCHEMBL22013247 0.83 MPO (0.49) MPOACHEIDH1IDH2JAK1
SCHEMBL670597 0.82
SCHEMBL23013386 0.81 ESR2 (0.42) MPOBMPR1AACVRL1ACVR1ACHE
SCHEMBL27322625 0.81 OGA (0.43) BMPR1AACVRL1ACVR1ACHEESR2
SCHEMBL23022243 0.81 ESR2 (0.42) MPOBMPR1AACVRL1ACVR1ACHE
SCHEMBL15416353 0.80 MPO (0.50) MPOACHECHRNB2CHRNA4
SCHEMBL15431350 0.80 MPO (0.50) MPOACHECHRNB2CHRNA4
SCHEMBL14863089 0.78 MPO (0.59) MPOBMPR1AACVRL1ACVR1ACHE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220289712-A1 AMINOPYRAZINE COMPOUNDS AS HPK1 INHIBITOR AND THE USE THEREOF BEONE MEDICINES I GMBH (CH) 2022-09-15 US disclosed
CN-114341127-A Aminopyrazine compounds as HPK1 inhibitors and uses thereof 百济神州有限公司 2022-04-12 CN disclosed
WO-2021032148-A1 AMINOPYRAZINE COMPOUNDS AS HPK1 INHIBITOR AND THE USE THEREOF BEIGENE, LTD. (KY) 2021-02-25 WO disclosed
US-8378104-B2 7-aminofuropyridine derivatives OSI Pharmaceuticals, LLC (US) 2013-02-19 US disclosed
EP-2534156-A1 7-AMINOFUROPYRIDINE DERIVATIVES OSI Pharmaceuticals, LLC (US) 2012-12-19 EP disclosed
US-20120046267-A1 7-AMINOFUROPYRIDINE DERIVATIVES OSI PHARMACEUTICALS, INC. 2012-02-23 US disclosed
WO-2011100502-A1 7-AMINOFUROPYRIDINE DERIVATIVES OSI Pharmaceuticals, LLC (US) 2011-08-18 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 (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-20120046267-A1 7-AMINOFUROPYRIDINE DERIVATIVES MAP3K5, STK17A, MAPKAPK5 MPO 3843/4885BMPR1A 1993/4885ACVRL1 2387/4885
US-20220289712-A1 AMINOPYRAZINE COMPOUNDS AS HPK1 INHIBITOR AND THE USE THEREOF MAPKAPK5, STK25, STK35 MPO 2476/4885BMPR1A 3552/4885ACVRL1 2930/4885

“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.