SCHEMBL4987655

SCHEMBL4987655

COc1ccc(-n2nc(C(=O)NC(C)(C)C)nc2-c2ccc(F)cn2)cn1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 1/20 0.39
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
OXTR P30559 3/20 0.38
AVPR1A P37288 1/20 0.38
GUCY1B2 O75343 1/20 0.35
GUCY1A2 P33402 1/20 0.35
GUCY1A1 Q02108 1/20 0.35
GUCY1B1 Q02153 1/20 0.35
ACSS2 Q9NR19 1/20 0.35
GRM5 P41594 1/20 0.35
PTGS2 P35354 2/20 0.35
LMNA P02545 2/20 0.35
MAPT P10636 1/20 0.35
THRB P10828 1/20 0.35
SMO Q99835 1/20 0.35
PDK2 Q15119 1/20 0.35

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
SCHEMBL4990555 0.90 MEN1 (0.38) P2RX7NPC1RAB9ASMN1; SMN2MEN1
SCHEMBL4990279 0.89 AR (0.37) P2RX7NPC1RAB9ASMN1; SMN2MEN1
SCHEMBL4984634 0.89 MEN1 (0.37) P2RX7NPC1RAB9ASMN1; SMN2MEN1
SCHEMBL4984731 0.88 RAB9A (0.45) NPC1RAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL4987232 0.87 AR (0.40) NPC1RAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL4990231 0.86 MEN1 (0.42) NPC1RAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL4990274 0.86 MEN1 (0.38) NPC1RAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL14186820 0.86 OXTR (0.41) P2RX7NPC1RAB9ASMN1; SMN2MEN1
SCHEMBL4988316 0.86 RAB9A (0.45) NPC1RAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL4990652 0.85 HPGDS (0.40) NPC1RAB9ASMN1; SMN2MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080125409-A1 1,5-Diheterocycle-1H-Triazole Derivative DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2008-05-29 US disclosed
US-20080125409-A1 1,5-Diheterocycle-1H-Triazole Derivative DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2008-05-29 US disclosed
EP-1803719-A1 1,5-DIHETEROCYCLE-1H-TRIAZOLE DERIVATIVE DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2007-07-04 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-20080125409-A1 1,5-Diheterocycle-1H-Triazole Derivative PTGS1, PTGER1, TBXA2R P2RX7 217/4885NPC1 3524/4885RAB9A 2660/4885

“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.