SCHEMBL17186608

SCHEMBL17186608

Cc1cc(F)ccc1CCn1c(N)nc2[nH]cnc2c1=O

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ NR3C2 P08235 1/20 0.37
▸ GRIN1 Q05586 8/20 0.35
▸ GRIN2B Q13224 8/20 0.35
▸ MAPT P10636 2/20 0.35
▸ KDM4E B2RXH2 1/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ RGS12 O14924 1/20 0.35
▸ USP2 O75604 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ MCOLN3 Q8TDD5 1/20 0.35
▸ P2RX7 Q99572 2/20 0.33
▸ TLR8 Q9NR97 1/20 0.33
▸ KDM4C Q9H3R0 1/20 0.33
▸ HSP90AB1 P08238 1/20 0.32
▸ PDPK1 O15530 1/20 0.32
▸ BRD4 O60885 1/20 0.32

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 SCHEMBL17186602 0.99 NR3C2 (0.36) NR3C2GRIN1GRIN2BMAPTKDM4E
SCHEMBL17186591 0.89 P2RX7 (0.39) NR3C2GRIN1GRIN2BP2RX7KDM4C
SCHEMBL17186541 0.89 LMNA (0.38) MAPTKDM4EMEN1RGS12USP2
Hydrochloric Acid SCHEMBL18605415 0.88 LMNA (0.37) MAPTKDM4EMEN1RGS12USP2
Hydrochloric Acid SCHEMBL17186319 0.88 P2RX7 (0.38) NR3C2GRIN1GRIN2BP2RX7TLR8
SCHEMBL17186302 0.84 MEN1 (0.39) MAPTKDM4EMEN1RGS12USP2
Hydrochloric Acid SCHEMBL18605666 0.84 MEN1 (0.39) MAPTKDM4EMEN1RGS12USP2
SCHEMBL18605580 0.83 HSP90AB1 (0.40) NR3C2KMT2AP2RX7KDM4CHSP90AB1
Hydrochloric Acid SCHEMBL18605795 0.82 HSP90AB1 (0.40) NR3C2KMT2AP2RX7TLR8KDM4C
SCHEMBL17186294 0.82 ADORA3 (0.40) MAPTKDM4EMEN1RGS12USP2

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
US-20170073331-A1 GUANIDINE COMPOUNDS AND USE THEREOF IMMUNOMET THERAPEUTICS INC. (US) 2017-03-16 — — US 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 NR3C2 3709/4885GRIN1 1341/4885GRIN2B 2209/4885

“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.

Send feedback