SCHEMBL6454723

SCHEMBL6454723

Cc1cccc(C(=N)NN)n1

nearest known ligand 0.62

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 2/20 0.62
GRM5 P41594 5/20 0.46
NOS3 P29474 1/20 0.42
NOS2 P35228 1/20 0.42
HSP90AA1 P07900 1/20 0.41
CCR1 P32246 1/20 0.40
CCR8 P51685 1/20 0.40
RAB9A P51151 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
MAPT P10636 1/20 0.36
FPR2 P25090 1/20 0.36
HKDC1 Q2TB90 1/20 0.35
CTSA P10619 1/20 0.35
FDPS P14324 1/20 0.34
FDFT1 P37268 1/20 0.34

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
SCHEMBL2240378 0.83 P2RX7 (0.51) P2RX7GRM5NOS3NOS2HSP90AA1
SCHEMBL6449121 0.83 P2RX7 (0.46) P2RX7GRM5NOS3NOS2HSP90AA1
SCHEMBL1580850 0.82 P2RX7 (0.50) P2RX7GRM5NOS3NOS2HSP90AA1
SCHEMBL18414338 0.82 P2RX7 (0.50) P2RX7GRM5NOS3NOS2HSP90AA1
SCHEMBL6454385 0.81 P2RX7 (0.47) P2RX7GRM5HSP90AA1RAB9AFPR2
SCHEMBL9792890 0.80 P2RX7 (0.39) P2RX7HSP90AA1CCR1CCR8CTSA
SCHEMBL23865131 0.78 NOS3 (0.39) P2RX7NOS3NOS2
SCHEMBL29843729 0.78 P2RX7 (0.53) P2RX7GRM5NOS3NOS2HSP90AA1
SCHEMBL1443336 0.78 P2RX7 (0.53) P2RX7GRM5NOS3NOS2HSP90AA1
SCHEMBL314520 0.77 P2RX7 (1.00) P2RX7GRM5RAB9AMAPTFPR2

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-11691992-B2 Oxaborole analogs and uses thereof ANACOR PHARMACEUTICALS, INC. (US) 2023-07-04 US disclosed
US-11691992-B2 Oxaborole analogs and uses thereof ANACOR PHARMACEUTICALS, INC. (US) 2023-07-04 US disclosed
US-10961261-B2 Oxaborole analogs and uses thereof ANACOR PHARMACEUTICALS, INC. (US) 2021-03-30 US disclosed
US-10941151-B2 Chiral N-acyl-5,6,7(8-substituted)-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazines as selective NK-3 receptor antagonists, pharmaceutical composition, methods for use in NK-3 receptor mediated disorders and chiral synthesis thereof OGEDA SA (BE) 2021-03-09 US disclosed
US-20200283447-A1 NOVEL CHIRAL N-ACYL-5,6,7(8-SUBSTITUTED)-TETRAHYDRO-[1,2,4]TRIAZOLO[4,3-A]PYRAZINES AS SELECTIVE NK-3 RECEPTOR ANTAGONISTS, PHARMACEUTICAL COMPOSITION, METHODS FOR USE IN NK-3 RECEPTOR MEDIATED DISORDERS AND CHIRAL SYNTHESIS THEREOF OGEDA SA (BE) 2020-09-10 US disclosed
US-20050075375-A1 Heterocyclic compounds for treating hepatitis C virus ANADYS PHARMACEUTICALS, INC. (US) 2005-04-07 US disclosed
WO-2004110351-A2 HETEROCYCLIC COMPOUNDS FOR TREATING HEPATITIS C VIRUS ANADYS PHARMACEUTICALS, INC. (US) 2004-12-23 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 (5 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-11691992-B2 Oxaborole analogs and uses thereof OXA1L, EPX, OAT P2RX7 1163/4885GRM5 2280/4885NOS3 788/4885
US-20050075375-A1 Heterocyclic compounds for treating hepatitis C virus HAVCR2, HCCS, LIPC P2RX7 1072/4885GRM5 4040/4885NOS3 1553/4885
US-10961261-B2 Oxaborole analogs and uses thereof OXA1L, EPX, OAT P2RX7 1163/4885GRM5 2280/4885NOS3 788/4885
US-20200283447-A1 NOVEL CHIRAL N-ACYL-5,6,7(8-SUBSTITUTED)-TETRAHYDRO-[1,2,4]TRIAZOLO[4,3-A]PYRAZINES AS SELECTIVE NK-3 RECEPTOR ANTAGONISTS, PHARMACEUTICAL COMPOSITION, METHODS FOR USE IN NK-3 RECEPTOR MEDIATED DISORDERS AND CHIRAL SYNTHESIS THEREOF ACKR3, GPR3, TAC3 P2RX7 115/4885GRM5 130/4885NOS3 435/4885
US-10941151-B2 Chiral N-acyl-5,6,7(8-substituted)-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazines as selective NK-3 receptor antagonists, pharmaceutical composition, methods for use in NK-3 receptor mediated disorders and chiral synthesis thereof GPR3, ACKR3, TAC3 P2RX7 123/4885GRM5 110/4885NOS3 468/4885

“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.