SCHEMBL22975129

SCHEMBL22975129

O=c1[nH]c([N+](=O)[O-])nc2ccccc12

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TNKS2 Q9H2K2 7/20 0.61
▸ GUSB P08236 6/20 0.61
▸ TNKS O95271 5/20 0.61
▸ PARP2 Q9UGN5 2/20 0.61
▸ NLRP3 Q96P20 1/20 0.61
▸ PARP1 P09874 4/20 0.61
▸ QTRT1 Q9BXR0 1/20 0.56
▸ NPC1 O15118 1/20 0.56
▸ RAB9A P51151 1/20 0.56
▸ PKM P14618 1/20 0.51
▸ KMT2A Q03164 1/20 0.50
▸ ALDH1A1 P00352 2/20 0.49
▸ HPGD P15428 2/20 0.49
▸ TUBB4A P04350 1/20 0.49
▸ TUBB P07437 1/20 0.49
▸ TUBA3C P0DPH7 1/20 0.49
▸ TUBA1B P68363 1/20 0.49
▸ TUBA4A P68366 1/20 0.49
▸ TUBB4B P68371 1/20 0.49
▸ TUBB3 Q13509 1/20 0.49

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
SCHEMBL30852300 1.00 TNKS2 (0.61) TNKS2GUSBTNKSPARP2NLRP3
SCHEMBL15775356 0.77 TNKS (1.00) TNKS2GUSBTNKSPARP2NLRP3
SCHEMBL12591965 0.77 GUSB (1.00) TNKS2GUSBTNKSPARP2NLRP3
SCHEMBL26017627 0.76 TNKS2 (0.61) TNKS2GUSBTNKSPARP2PARP1
SCHEMBL31251212 0.76 MMP2 (0.58) NPC1RAB9APKMKMT2AALDH1A1
SCHEMBL186382 0.76 MMP2 (0.58) NPC1RAB9APKMKMT2AALDH1A1
SCHEMBL31070302 0.76 TNKS2 (0.61) TNKS2GUSBTNKSPARP2PARP1
SCHEMBL47352 0.76 PARP1 (1.00) TNKS2TNKSPARP1QTRT1NPC1
SCHEMBL6695759 0.75 TNKS2 (0.81) TNKS2GUSBTNKSPARP2PARP1
SCHEMBL9483143 0.74 MMP2 (0.57) NPC1RAB9APKMKMT2AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105377831-B Synthesis of 3- (5-amino-2-methyl-4-oxoquinazolin-3 (4H) -yl) piperidine-2, 6-dione 细胞基因公司 2018-02-02 — — CN claimed
CN-115340541-B Preparation method of tocartinib intermediate 上海艾洋化学科技有限公司 2024-01-30 — — CN disclosed
US-11524956-B2 Alkyne substituted quinazoline compound and methods of use NEWGEN THERAPEUTICS, INC. (US) 2022-12-13 — — US disclosed
US-20210047303-A1 ALKYNE SUBSTITUTED QUINAZOLINE COMPOUND AND METHODS OF USE KANION USA INC. 2021-02-18 — — US disclosed
CN-105377831-B Synthesis of 3- (5-amino-2-methyl-4-oxoquinazolin-3 (4H) -yl) piperidine-2, 6-dione 细胞基因公司 2018-02-02 — — 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-11524956-B2 Alkyne substituted quinazoline compound and methods of use ERBB2, ERBB4, ERBB3 TNKS2 559/4885GUSB 4213/4885TNKS 653/4885
US-20210047303-A1 ALKYNE SUBSTITUTED QUINAZOLINE COMPOUND AND METHODS OF USE ERBB2, ERBB4, ERBB3 TNKS2 559/4885GUSB 4213/4885TNKS 653/4885

“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.

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