SCHEMBL17186253

SCHEMBL17186253

Nc1nc2[nH]cnc2c(=O)n1CCc1ccc(CCc2ccccc2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ADORA3 P0DMS8 4/20 0.51
▸ ADORA2B P29275 4/20 0.51
▸ KMT2A Q03164 5/20 0.47
▸ MEN1 O00255 4/20 0.47
▸ KDM4E B2RXH2 2/20 0.47
▸ RGS12 O14924 2/20 0.47
▸ USP2 O75604 2/20 0.47
▸ MAPT P10636 2/20 0.47
▸ PNP P00491 1/20 0.45
▸ MCOLN3 Q8TDD5 1/20 0.45
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ BACE1 P56817 1/20 0.40
▸ IP6K1 Q92551 1/20 0.40
▸ IP6K3 Q96PC2 1/20 0.40
▸ IP6K2 Q9UHH9 1/20 0.40
▸ PLK1 P53350 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ CYP1A2 P05177 1/20 0.39
▸ CYP3A4 P08684 1/20 0.39
▸ CYP2D6 P10635 1/20 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
Hydrochloric Acid SCHEMBL17186528 0.99 ADORA3 (0.50) ADORA3ADORA2BKMT2AMEN1KDM4E
SCHEMBL6268523 0.97 ADORA2B (0.53) ADORA3ADORA2BKMT2AMEN1KDM4E
Hydrochloric Acid SCHEMBL17186427 0.96 ADORA2B (0.52) ADORA3ADORA2BKMT2AMEN1KDM4E
SCHEMBL17186483 0.93 ADORA3 (0.46) ADORA3ADORA2BKMT2AMEN1KDM4E
Hydrochloric Acid SCHEMBL17186273 0.92 ADORA3 (0.46) ADORA3ADORA2BKMT2AMEN1KDM4E
SCHEMBL17186230 0.90 ADORA3 (0.53) ADORA3ADORA2BKMT2AMEN1KDM4E
SCHEMBL17186529 0.90 ADORA3 (0.44) ADORA3ADORA2BKMT2AMEN1KDM4E
Hydrochloric Acid SCHEMBL17186399 0.89 ADORA3 (0.52) ADORA3ADORA2BKMT2AMEN1KDM4E
Hydrochloric Acid SCHEMBL17186458 0.89 ADORA3 (0.43) ADORA3ADORA2BKMT2AMEN1KDM4E
SCHEMBL17186294 0.88 ADORA3 (0.40) ADORA3ADORA2BKMT2AMEN1KDM4E

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 7 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
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

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 ADORA3 1244/4885ADORA2B 1776/4885KMT2A 1792/4885

“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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