SCHEMBL631941

SCHEMBL631941

O=C1CCC(n2cc(I)cn2)CC1

nearest known ligand 0.81

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MPO P05164 1/20 0.81
ACHE P22303 3/20 0.36
DDB1 Q16531 1/20 0.35
CRBN Q96SW2 1/20 0.35
CYP1A2 P05177 2/20 0.33
CYP3A4 P08684 2/20 0.33
CYP3A5 P20815 2/20 0.33
CYP3A7 P24462 2/20 0.33
CYP2C19 P33261 2/20 0.33
PDK4 Q16654 2/20 0.33
CYP3A43 Q9HB55 2/20 0.33
KDM5B Q9UGL1 2/20 0.32
ACVRL1 P37023 2/20 0.32
ACVR1 Q04771 2/20 0.32
BMPR1A P36894 1/20 0.32
IDH1 O75874 1/20 0.30
IDH2 P48735 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
SCHEMBL19358457 0.90 MPO (1.00) MPOACHEDDB1CRBN
SCHEMBL670597 0.85
SCHEMBL18616507 0.81 MPO (0.59) MPOACHEKDM5BACVRL1ACVR1
SCHEMBL14863089 0.81 MPO (0.59) MPOACHEKDM5BACVRL1ACVR1
SCHEMBL26388605 0.79 MPO (0.57) MPOACHEKDM5BACVRL1ACVR1
SCHEMBL24853211 0.79 MPO (0.53) MPOACHEDDB1CRBNCYP1A2
SCHEMBL631712 0.79 MPO (0.53) MPOACHEDDB1CRBNCYP1A2
SCHEMBL16722528 0.77 MPO (0.55) MPOACHEKDM5B
SCHEMBL2358200 0.76 MPO (0.58) MPOACHECYP3A4
SCHEMBL1359774 0.76 MPO (0.54) MPOACHEACVR1IDH1IDH2

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 62 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114341127-B Aminopyrazine compounds as HPK1 inhibitors and uses thereof 百济神州有限公司 2024-12-17 CN disclosed
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
EP-3562825-B1 OXAZOLE DERIVATIVES FOR USE IN THE TREATMENT OF CANCER LIFEARC (GB) 2022-02-16 EP disclosed
EP-3562825-B1 OXAZOLE DERIVATIVES FOR USE IN THE TREATMENT OF CANCER LIFEARC (GB) 2022-02-16 EP disclosed
US-10961234-B2 Oxazole derivatives for use in the treatment of cancer LIFEARC (GB) 2021-03-30 US disclosed
US-10961234-B2 Oxazole derivatives for use in the treatment of cancer LIFEARC (GB) 2021-03-30 US disclosed
WO-2021032148-A1 AMINOPYRAZINE COMPOUNDS AS HPK1 INHIBITOR AND THE USE THEREOF BEIGENE, LTD. (KY) 2021-02-25 WO disclosed
US-20190352296-A1 OXAZOLE DERIVATIVES FOR USE IN THE TREATMENT OF CANCER LIFEARC (GB) 2019-11-21 US disclosed
US-20190352296-A1 OXAZOLE DERIVATIVES FOR USE IN THE TREATMENT OF CANCER LIFEARC (GB) 2019-11-21 US disclosed
WO-2011100502-A1 7-AMINOFUROPYRIDINE DERIVATIVES OSI Pharmaceuticals, LLC (US) 2011-08-18 WO disclosed
EP-2356116-A1 SUBSTITUTED PYRROLOÝ2,3-B¨-PYRIDINES AND-PYRAZINES OSI Pharmaceuticals, Inc. (US) 2011-08-17 EP disclosed
US-20110136764-A1 AMINO PYRIMIDINE ANTICANCER COMPOUNDS OSI PHARMACEUTICALS, INC. (US) 2011-06-09 US disclosed
WO-2010141406-A2 AMINO PYRIMIDINE ANTICANCER COMPOUNDS OSI PHARMACEUTICALS, INC. (US) 2010-12-09 WO disclosed
WO-2010121036-A1 4-AZETIDINYL-1-HETEROATOM LINKED-CYCLOHEXANE ANTAGONISTS OF CCR2 JANSSEN PHARMACEUTICA NV (BE) 2010-10-21 WO disclosed
WO-2010121036-A1 4-AZETIDINYL-1-HETEROATOM LINKED-CYCLOHEXANE ANTAGONISTS OF CCR2 JANSSEN PHARMACEUTICA NV (BE) 2010-10-21 WO disclosed
US-20100267668-A1 4-AZETIDINYL-1-HETEROATOM LINKED-CYCLOHEXANE ANTAGONISTS OF CCR2 JANSSEN PHARMACEUTICA N.V. (BE) 2010-10-21 US disclosed
US-20100267668-A1 4-AZETIDINYL-1-HETEROATOM LINKED-CYCLOHEXANE ANTAGONISTS OF CCR2 JANSSEN PHARMACEUTICA N.V. (BE) 2010-10-21 US disclosed
US-20100267668-A1 4-AZETIDINYL-1-HETEROATOM LINKED-CYCLOHEXANE ANTAGONISTS OF CCR2 JANSSEN PHARMACEUTICA N.V. (BE) 2010-10-21 US disclosed
WO-2010059771-A1 SUBSTITUTED PYRROLO[2,3-B]-PYRIDINES AND-PYRAZINES OSI PHARMACEUTICALS, INC. (US) 2010-05-27 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 (5 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-10961234-B2 Oxazole derivatives for use in the treatment of cancer PAICS, SMARCC2, OXA1L MPO 1313/4885ACHE 4629/4885DDB1 3313/4885
US-20190352296-A1 OXAZOLE DERIVATIVES FOR USE IN THE TREATMENT OF CANCER PAICS, SMARCC2, OXA1L MPO 1313/4885ACHE 4629/4885DDB1 3313/4885
US-20110136764-A1 AMINO PYRIMIDINE ANTICANCER COMPOUNDS DPYD, PTK2, TYMS MPO 4636/4885ACHE 4750/4885DDB1 513/4885
US-20220289712-A1 AMINOPYRAZINE COMPOUNDS AS HPK1 INHIBITOR AND THE USE THEREOF MAPKAPK5, STK25, STK35 MPO 2476/4885ACHE 4623/4885DDB1 2467/4885
US-20100267668-A1 4-AZETIDINYL-1-HETEROATOM LINKED-CYCLOHEXANE ANTAGONISTS OF CCR2 CCR2, CCR1, CXCR2 MPO 897/4885ACHE 2785/4885DDB1 1978/4885

“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.