SCHEMBL4966788

SCHEMBL4966788

Nc1nc2[nH]cnc2c(=O)n1Cc1ccc2ccccc2c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PNP P00491 2/20 0.44
▸ FBP1 P09467 2/20 0.40
▸ ALDH1A1 P00352 2/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ HIF1A Q16665 1/20 0.40
▸ BACE1 P56817 2/20 0.39
▸ VDR P11473 1/20 0.39
▸ GAA P10253 1/20 0.39
▸ DAO P14920 1/20 0.39
▸ KDM4E B2RXH2 2/20 0.37
▸ MEN1 O00255 1/20 0.36
▸ RGS12 O14924 1/20 0.36
▸ USP2 O75604 1/20 0.36
▸ POLB P06746 1/20 0.36
▸ MAPT P10636 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ MCL1 Q07820 1/20 0.36
▸ TLR7 Q9NYK1 1/20 0.36
▸ ACHE P22303 1/20 0.36
▸ ADORA3 P0DMS8 1/20 0.36

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
Hydrochloric Acid SCHEMBL17186518 0.99 PNP (0.44) PNPFBP1ALDH1A1SMN1; SMN2HIF1A
SCHEMBL18247 0.86 PNP (0.59) PNPALDH1A1KDM4EMEN1RGS12
SCHEMBL1980958 0.85 PNP (0.57) PNPALDH1A1KDM4EMEN1RGS12
SCHEMBL8145515 0.83 KMT2A (0.48) PNPSMN1; SMN2KMT2ATLR7
SCHEMBL17186356 0.83 PNP (0.39) PNPSMN1; SMN2USP2TLR7
Hydrochloric Acid SCHEMBL17186508 0.83 PNP (0.47) PNPKDM4EMEN1KMT2ATLR7
SCHEMBL1262618 0.83 PNP (0.45) PNPALDH1A1KDM4EMEN1RGS12
SCHEMBL3308556 0.83 PNP (0.45) PNPALDH1A1SMN1; SMN2KDM4ETLR7
SCHEMBL9234445 0.82 PNP (0.44) PNPALDH1A1KDM4EMEN1POLB
Hydrochloric Acid SCHEMBL17186369 0.82 PNP (0.39) PNPSMN1; SMN2USP2TLR7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170073331-A1 GUANIDINE COMPOUNDS AND USE THEREOF IMMUNOMET THERAPEUTICS INC. (US) 2017-03-16 — — US claimed
EP-3131877-A1 GUANIDINE COMPOUNDS AND USE THEREOF Immunomet Therapeutics Inc. (US) 2017-02-22 — — EP claimed
WO-2015160220-A1 GUANIDINE COMPOUNDS AND USE THEREOF HANALL BIOPHARMA CO., LTD. (KR) 2015-10-22 — — WO claimed
JP-4054057-B2 — — 2008-02-27 — — JP claimed
EP-0702683-B1 06-SUBSTITUTED GUANINE DERIVATIVES, A PROCESS FOR THEIR PREPARATION AND THEIR USE IN TREATING TUMOUR CELLS CANCER REC TECH LTD (GB) 2003-09-17 — — EP claimed
WO-1994029312-A1 O6-SUBSTITUTED GUANINE DERIVATIVES, A PROCESS FOR THEIR PREPARATION AND THEIR USE IN TREATING TUMOUR CELLS CANCER RESEARCH CAMPAIGN TECHNOLOGY LIMITED (GB) 1994-12-22 — — WO claimed
EP-3131877-B1 BIGUANIDE COMPOUNDS IMMUNOMET THERAPEUTICS INC (US) 2023-07-19 — — EP disclosed
US-20170073331-A1 GUANIDINE COMPOUNDS AND USE THEREOF IMMUNOMET THERAPEUTICS INC. (US) 2017-03-16 — — US disclosed
EP-3131877-A1 GUANIDINE COMPOUNDS AND USE THEREOF Immunomet Therapeutics Inc. (US) 2017-02-22 — — EP disclosed
WO-2015160220-A1 GUANIDINE COMPOUNDS AND USE THEREOF HANALL BIOPHARMA CO., LTD. (KR) 2015-10-22 — — WO disclosed
EP-0702683-B8 06-SUBSTITUTED GUANINE DERIVATIVES, A PROCESS FOR THEIR PREPARATION AND THEIR USE IN TREATING TUMOUR CELLS CANCER REC TECH LTD (GB) 2004-09-08 — — EP disclosed
EP-0702683-A1 06-SUBSTITUTED GUANINE DERIVATIVES, A PROCESS FOR THEIR PREPARATION AND THEIR USE IN TREATING TUMOUR CELLS CANCER RESEARCH CAMPAIGN TECHNOLOGY LIMITED (GB) 1996-03-27 — — EP disclosed
WO-1994029312-A1 O6-SUBSTITUTED GUANINE DERIVATIVES, A PROCESS FOR THEIR PREPARATION AND THEIR USE IN TREATING TUMOUR CELLS CANCER RESEARCH CAMPAIGN TECHNOLOGY LIMITED (GB) 1994-12-22 — — 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 (1 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-20170073331-A1 GUANIDINE COMPOUNDS AND USE THEREOF PC, TFAM, PCK2 PNP 292/4885FBP1 1883/4885ALDH1A1 1471/4885

“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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