SCHEMBL3099680

SCHEMBL3099680

CCNC(=O)c1ccc(-n2nnc(C(=O)NC3CC3)c2COc2cccc(F)c2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA5 P31644 2/20 0.43
HTR1A P08908 1/20 0.41
DRD2 P14416 1/20 0.41
HTR7 P34969 1/20 0.41
HTR6 P50406 1/20 0.41
CHRM4 P08173 1/20 0.41
SSTR4 P31391 1/20 0.40
TTK P33981 2/20 0.39
HPGD P15428 2/20 0.39
RAB9A P51151 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
MAPT P10636 1/20 0.38
USP2 O75604 1/20 0.38
LMNA P02545 1/20 0.38
RXFP1 Q9HBX9 1/20 0.38
ROCK2 O75116 1/20 0.38
ROCK1 Q13464 1/20 0.38
HPGDS O60760 1/20 0.37
MRGPRX4 Q96LA9 1/20 0.37
BRD4 O60885 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
SCHEMBL3109052 0.94 GABRA5 (0.51) GABRA5HTR1ADRD2HTR7HTR6
SCHEMBL3108727 0.92 GABRA5 (0.44) GABRA5TTKHPGDRXFP1ALDH1A1
SCHEMBL3117739 0.91 HPGD (0.46) GABRA5HPGDRAB9ASMN1; SMN2MAPT
SCHEMBL3109687 0.91 HTR7 (0.43) GABRA5HTR1ADRD2HTR7HTR6
SCHEMBL3112516 0.91 POLB (0.47) GABRA5HPGDRAB9ASMN1; SMN2RXFP1
SCHEMBL3112609 0.90 CHRM4 (0.41) GABRA5HTR1ADRD2HTR7HTR6
SCHEMBL3105278 0.90 GABRA5 (0.40) GABRA5HTR1ADRD2HTR7HTR6
SCHEMBL3118127 0.90 KMT2A (0.44) GABRA5HPGDRAB9ASMN1; SMN2RXFP1
SCHEMBL3107298 0.90 ROCK2 (0.43) GABRA5HPGDRAB9ASMN1; SMN2MAPT
SCHEMBL3112397 0.90 SLC6A5 (0.46) GABRA5HPGDRAB9ASMN1; SMN2LMNA

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7803822-B2 Triazole derivative and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-09-28 US claimed
US-20090105253-A1 Triazole Derivative and Use Thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-04-23 US claimed
EP-1867331-A1 TRIAZOLE DERIVATIVE AND THE USE THEREOF Takeda Pharmaceutical Company Limited (JP) 2007-12-19 EP claimed
US-7803822-B2 Triazole derivative and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-09-28 US disclosed
US-7803822-B2 Triazole derivative and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-09-28 US disclosed
US-7803822-B2 Triazole derivative and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-09-28 US disclosed
US-20090105253-A1 Triazole Derivative and Use Thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-04-23 US disclosed
US-20090105253-A1 Triazole Derivative and Use Thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-04-23 US disclosed
US-20090105253-A1 Triazole Derivative and Use Thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-04-23 US disclosed
EP-1867331-A1 TRIAZOLE DERIVATIVE AND THE USE THEREOF Takeda Pharmaceutical Company Limited (JP) 2007-12-19 EP 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-20090105253-A1 Triazole Derivative and Use Thereof F2R, HRH4, F2RL3 GABRA5 755/4885HTR1A 34/4885DRD2 1765/4885

“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.