SCHEMBL17186294

SCHEMBL17186294

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

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 2/20 0.40
ADORA2B P29275 2/20 0.40
MPO P05164 1/20 0.39
TPO P07202 1/20 0.39
MAPT P10636 5/20 0.38
ALDH1A1 P00352 4/20 0.38
KDM4E B2RXH2 3/20 0.38
GLA P06280 2/20 0.38
GAA P10253 1/20 0.38
HPGD P15428 1/20 0.38
TP53 P04637 1/20 0.37
KMT2A Q03164 4/20 0.37
MEN1 O00255 3/20 0.37
USP2 O75604 3/20 0.37
RGS12 O14924 2/20 0.37
MCOLN3 Q8TDD5 1/20 0.36
TSHR P16473 2/20 0.36
CASP1 P29466 2/20 0.36
CASP7 P55210 2/20 0.36
HIF1A Q16665 2/20 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 SCHEMBL18605670 0.99 ADORA3 (0.39) ADORA3ADORA2BMPOTPOMAPT
SCHEMBL17186253 0.88 ADORA3 (0.51) ADORA3ADORA2BMAPTALDH1A1KDM4E
SCHEMBL17186341 0.88 ADORA3 (0.41) ADORA3ADORA2BMAPTKDM4ETP53
SCHEMBL1533545 0.88 MPO (0.48) MPOTPOALDH1A1GLAHPGD
SCHEMBL6268523 0.88 ADORA2B (0.53) ADORA3ADORA2BMAPTALDH1A1KDM4E
SCHEMBL17186281 0.87 DAO (0.39) ADORA3ADORA2BMPOMAPTKDM4E
Hydrochloric Acid SCHEMBL18605470 0.87 ADORA3 (0.40) ADORA3ADORA2BMAPTKDM4ETP53
Hydrochloric Acid SCHEMBL17186528 0.87 ADORA3 (0.50) ADORA3ADORA2BMAPTALDH1A1KDM4E
Hydrochloric Acid SCHEMBL17186427 0.86 ADORA2B (0.52) ADORA3ADORA2BMAPTALDH1A1KDM4E
Hydrochloric Acid SCHEMBL17186586 0.86 DAO (0.39) ADORA3ADORA2BMPOMAPTKDM4E

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 1776/4885MPO 1537/4885

“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.