SCHEMBL20322980

SCHEMBL20322980

CCOC(=O)CN(C)c1ccc(C#N)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCRTR2 O43614 1/20 0.47
KMT2A Q03164 2/20 0.45
CHRNB2 P17787 1/20 0.45
CHRNB4 P30926 1/20 0.45
CHRNA3 P32297 1/20 0.45
CHRNA4 P43681 1/20 0.45
ALDH1A1 P00352 3/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
CA12 O43570 1/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
CA9 Q16790 1/20 0.42
CYP11B1 P15538 1/20 0.41
CYP11B2 P19099 1/20 0.41
CYP2D6 P10635 1/20 0.40
OPRK1 P41145 1/20 0.40
TDP1 Q9NUW8 2/20 0.40
MEN1 O00255 1/20 0.40
PSMD14 O00487 1/20 0.40
MAPT P10636 2/20 0.39

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
SCHEMBL9512868 0.86 HCRTR2 (0.48) HCRTR2KMT2ACHRNB2CHRNB4CHRNA3
SCHEMBL19995086 0.85 CA12 (0.39) HCRTR2KMT2AALDH1A1SMN1; SMN2CA12
SCHEMBL5346395 0.84 HTT (0.45) KMT2ACHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL21456140 0.83 PDCD1 (0.50) KMT2AALDH1A1SMN1; SMN2TDP1MAPT
SCHEMBL28703573 0.82 RAB9A (0.45) HCRTR2KMT2AALDH1A1SMN1; SMN2CA12
SCHEMBL7448315 0.81 KMT2A (0.49) KMT2AALDH1A1SMN1; SMN2CA12CA1
SCHEMBL2441234 0.80 CA12 (0.42) KMT2AALDH1A1SMN1; SMN2CA12CA1
SCHEMBL22537802 0.80 HCRTR2 (0.44) HCRTR2ALDH1A1SMN1; SMN2CA12CA1
SCHEMBL15986419 0.80 MAPT (0.47) KMT2AALDH1A1SMN1; SMN2CA12CA1
SCHEMBL557889 0.79 SMN1; SMN2 (0.55) KMT2AALDH1A1SMN1; SMN2CA12CA1

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-3560928-B1 FUSED IMIDAZOLE COMPOUND HAVING INDOLEAMINE 2,3-DIOXYGENASE INHIBITORY ACTIVITY SHENZHEN CHIPSCREEN BIOSCIENCES CO LTD (CN) 2021-10-20 EP disclosed
EP-3560928-B1 FUSED IMIDAZOLE COMPOUND HAVING INDOLEAMINE 2,3-DIOXYGENASE INHIBITORY ACTIVITY SHENZHEN CHIPSCREEN BIOSCIENCES CO LTD (CN) 2021-10-20 EP 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-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
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
EP-3560928-A1 FUSED IMIDAZOLE COMPOUND HAVING INDOLEAMINE 2,3-DIOXYGENASE INHIBITORY ACTIVITY Shenzhen Chipscreen Biosciences Co., Ltd. (CN) 2019-10-30 EP disclosed
WO-2018113624-A1 FUSED IMIDAZOLE COMPOUND HAVING INDOLEAMINE 2,3-DIOXYGENASE INHIBITORY ACTIVITY 深圳微芯生物科技有限责任公司 2018-06-28 WO disclosed
CN-108203438-A Condensed imidazole compound with indole amine 2,3-dioxygenase inhibitory activity 深圳微芯生物科技股份有限公司 2018-06-26 CN 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-20190352307-A1 FUSED IMIDAZOLE COMPOUND HAVING INDOLEAMINE 2,3-DIOXYGENASE INHIBITORY ACTIVITY IDO1, IDO2, INMT HCRTR2 3130/4885KMT2A 209/4885CHRNB2 1615/4885
US-10604529-B2 Fused imidazole compound having indoleamine 2,3-dioxygenase inhibitory activity IDO1, IDO2, INMT HCRTR2 1800/4885KMT2A 367/4885CHRNB2 1787/4885

“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.