SCHEMBL7978731

SCHEMBL7978731

O=C(O)COc1ccc2ncccc2c1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN7 P35236 1/20 0.66
ALDH1A1 P00352 3/20 0.57
PDE2A O00408 1/20 0.52
PDE3B Q13370 1/20 0.52
PDE3A Q14432 1/20 0.52
P2RY12 Q9H244 1/20 0.52
ALOX15 P16050 2/20 0.50
MCL1 Q07820 1/20 0.50
HTT P42858 1/20 0.50
MIF P14174 1/20 0.50
PPARG P37231 1/20 0.49
PPARA Q07869 1/20 0.49
FFAR4 Q5NUL3 1/20 0.49
MAPT P10636 2/20 0.49
NPC1 O15118 2/20 0.49
POLB P06746 2/20 0.49
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
CYP3A4 P08684 2/20 0.48
LMNA P02545 1/20 0.47

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
SCHEMBL159056 0.86 ALDH1A1 (0.56) PTPN7ALDH1A1ALOX15MCL1HTT
SCHEMBL535592 0.84 MCL1 (0.56) ALDH1A1PDE2APDE3BPDE3AP2RY12
SCHEMBL534453 0.81 ALDH1A1 (0.51) PTPN7ALDH1A1ALOX15MCL1HTT
SCHEMBL14816245 0.81 KDM4E (0.60) ALDH1A1PDE3BPDE3AP2RY12ALOX15
SCHEMBL5267380 0.81 ALDH1A1 (0.68) ALDH1A1ALOX15MCL1HTTPPARG
Malonic Acid SCHEMBL11881627 0.81 ALDH1A1 (0.60) ALDH1A1ALOX15MCL1HTTMAPT
SCHEMBL19924517 0.81 ALDH1A1 (0.64) ALDH1A1ALOX15MCL1HTTPPARG
SCHEMBL25640 0.80 PTPN7 (1.00) PTPN7ALDH1A1ALOX15HTTPPARG
SCHEMBL29367022 0.80 PTPN7 (1.00) PTPN7ALDH1A1ALOX15HTTPPARG
SCHEMBL14273081 0.79 PTPN7 (0.63) PTPN7ALOX15MIFMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3560928-B1 FUSED IMIDAZOLE COMPOUND HAVING INDOLEAMINE 2,3-DIOXYGENASE INHIBITORY ACTIVITY SHENZHEN CHIPSCREEN BIOSCIENCES CO LTD (CN) 2021-10-20 EP disclosed
US-20210317109-A1 TRICYCLIC SUBSTITUTED PIPERIDINE DIONE COMPOUND MEDSHINE DISCOVERY INC. (CN) 2021-10-14 US disclosed
CN-108203438-B Fused imidazole compounds having indoleamine 2,3-dioxygenase inhibitory activity 深圳微芯生物科技股份有限公司 2021-09-28 CN disclosed
US-10604529-B2 Fused imidazole compound having indoleamine 2,3-dioxygenase inhibitory activity SHENZHEN CHIPSCREEN BIOSCIENCES CO., LTD. (CN) 2020-03-31 US disclosed
US-20190352307-A1 FUSED IMIDAZOLE COMPOUND HAVING INDOLEAMINE 2,3-DIOXYGENASE INHIBITORY ACTIVITY SHENZHEN CHIPSCREEN BIOSCIENCES CO., LTD. (CN) 2019-11-21 US disclosed
EP-3560928-A1 FUSED IMIDAZOLE COMPOUND HAVING INDOLEAMINE 2,3-DIOXYGENASE INHIBITORY ACTIVITY Shenzhen Chipscreen Biosciences Co., Ltd. (CN) 2019-10-30 EP disclosed
US-6291432-B1 (R)-N-(2-METHYLBENZYL)-3-((2S, 3S)-3-(N-(2-CHROMONECARBONYL)-L-ASPARAGINYL)AMINO-2-HYDROXY-4-PHENYLBUTANO YL)-5,5-DIMETHYL-1,3-THIAZOLIDINE-4-CARBOXAMIDE CAN BE GIVEN AS A TYPICAL EXAMPLE OF THIS COMPOUND. JAPAN ENERGY CORPORATION (JP) 2001-09-18 US disclosed
EP-0900566-A1 NOVEL TRIPEPTIDE COMPOUNDS AND ANTI-AIDS DRUGS JAPAN ENERGY CORPORATION (JP) 1999-03-10 EP 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 (3 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-20190352307-A1 FUSED IMIDAZOLE COMPOUND HAVING INDOLEAMINE 2,3-DIOXYGENASE INHIBITORY ACTIVITY IDO1, IDO2, INMT PTPN7 3491/4885ALDH1A1 735/4885PDE2A 2731/4885
US-10604529-B2 Fused imidazole compound having indoleamine 2,3-dioxygenase inhibitory activity IDO1, IDO2, INMT PTPN7 3071/4885ALDH1A1 376/4885PDE2A 2157/4885
US-20210317109-A1 TRICYCLIC SUBSTITUTED PIPERIDINE DIONE COMPOUND CRBN, CLNS1A, ADRM1 PTPN7 1285/4885ALDH1A1 2347/4885PDE2A 2522/4885

“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.