SCHEMBL17186438

SCHEMBL17186438

COc1ccc(CCCn2c(N)nc3[nH]cnc3c2=O)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ QTRT1 Q9BXR0 1/20 0.44
▸ LMNA P02545 2/20 0.41
▸ ADORA3 P0DMS8 1/20 0.41
▸ ADORA2B P29275 1/20 0.41
▸ PNP P00491 1/20 0.40
▸ MEN1 O00255 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ ATM Q13315 1/20 0.40
▸ RXFP1 Q9HBX9 1/20 0.40
▸ KDM4E B2RXH2 3/20 0.39
▸ NPC1 O15118 2/20 0.39
▸ MAPT P10636 2/20 0.39
▸ G6PD P11413 1/20 0.39
▸ MAPK1 P28482 1/20 0.39
▸ ABL1 P00519 1/20 0.39
▸ RIN1 Q13671 1/20 0.39
▸ NPSR1 Q6W5P4 1/20 0.37
▸ POLB P06746 1/20 0.37
▸ GSK3A P49840 1/20 0.37
▸ GSK3B P49841 1/20 0.37

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 SCHEMBL17186517 0.99 QTRT1 (0.43) QTRT1LMNAADORA3ADORA2BPNP
SCHEMBL9242005 0.86 PNP (0.51) QTRT1PNPMEN1KMT2AKDM4E
SCHEMBL17186230 0.85 ADORA3 (0.53) LMNAADORA3ADORA2BPNPMEN1
Hydrochloric Acid SCHEMBL17186399 0.84 ADORA3 (0.52) LMNAADORA3ADORA2BPNPMEN1
SCHEMBL17186441 0.83 ADORA3 (0.48) QTRT1LMNAADORA3ADORA2BPNP
Hydrochloric Acid SCHEMBL17186519 0.82 ADORA3 (0.47) QTRT1LMNAADORA3ADORA2BPNP
SCHEMBL17186341 0.81 ADORA3 (0.41) LMNAADORA3ADORA2BPNPMEN1
SCHEMBL17186529 0.80 ADORA3 (0.44) ADORA3ADORA2BPNPMEN1KMT2A
Hydrochloric Acid SCHEMBL18605470 0.80 ADORA3 (0.40) LMNAADORA3ADORA2BPNPMEN1
SCHEMBL17186667 0.80 TYMS (0.38) ADORA3ADORA2BKDM4EMAPK1CYP3A4

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 QTRT1 2012/4885LMNA 2855/4885ADORA3 1244/4885

“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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