SCHEMBL4049437

SCHEMBL4049437

Nc1cc(-c2ccc(F)cc2)nn1N

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 8/20 0.55
▸ RAB9A P51151 8/20 0.55
▸ MEN1 O00255 7/20 0.55
▸ KMT2A Q03164 7/20 0.55
▸ NPC1 O15118 6/20 0.55
▸ LMNA P02545 5/20 0.55
▸ MAPT P10636 6/20 0.48
▸ GAA P10253 2/20 0.48
▸ HTT P42858 2/20 0.48
▸ ALDH1A1 P00352 6/20 0.43
▸ ALOX5 P09917 1/20 0.43
▸ CSNK2A1 P68400 1/20 0.42
▸ TP53 P04637 2/20 0.42
▸ CYP2C19 P33261 2/20 0.42
▸ CYP1A2 P05177 1/20 0.42
▸ CYP3A4 P08684 1/20 0.42
▸ CYP2C9 P11712 1/20 0.42
▸ KDM4E B2RXH2 4/20 0.41
▸ TSHR P16473 2/20 0.41
▸ GFER P55789 1/20 0.41

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
SCHEMBL10112053 0.81 SMN1; SMN2 (0.59) SMN1; SMN2RAB9AMEN1KMT2ANPC1
SCHEMBL10103714 0.75 SMN1; SMN2 (0.54) SMN1; SMN2RAB9AMEN1KMT2ANPC1
SCHEMBL28516248 0.74 RAB9A (0.77) SMN1; SMN2RAB9AMEN1KMT2ANPC1
SCHEMBL9423332 0.74 LMNA (0.49) SMN1; SMN2RAB9AMEN1KMT2ANPC1
Hydrochloric Acid SCHEMBL9121751 0.73 SMN1; SMN2 (0.48) SMN1; SMN2RAB9AMEN1KMT2ANPC1
SCHEMBL13273519 0.73 SMN1; SMN2 (0.51) SMN1; SMN2RAB9AMEN1KMT2ANPC1
SCHEMBL28241488 0.72 SMN1; SMN2 (0.74) SMN1; SMN2RAB9AMEN1KMT2ANPC1
SCHEMBL28906662 0.72 RAB9A (1.00) SMN1; SMN2RAB9AMEN1KMT2ANPC1
SCHEMBL8684546 0.71 SMN1; SMN2 (0.49) SMN1; SMN2RAB9AMEN1KMT2ANPC1
SCHEMBL27139267 0.71 HDAC3 (0.53) SMN1; SMN2RAB9AMEN1KMT2ANPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7589096-B2 Azole derivatives BANYU PHARMACEUTICAL CO., LTD. (JP) 2009-09-15 — — US disclosed
EP-1566384-B1 NOVEL AZOLE DERIVATIVES BANYU PHARMA CO LTD (JP) 2009-06-17 — — EP disclosed
US-20080188507-A1 Novel azole derivatives MSD K.K. (JP) 2008-08-07 — — US disclosed
US-7365079-B2 Azole derivatives BANYU PHARMACEUTICAL CO., LTD. (JP) 2008-04-29 — — US disclosed
US-20060111380-A1 Novel azole derivatives MSD K.K. (JP) 2006-05-25 — — US disclosed
EP-1566384-A1 NOVEL AZOLE DERIVATIVES BANYU PHARMACEUTICAL CO., LTD. (JP) 2005-08-24 — — 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 (2 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-20080188507-A1 Novel azole derivatives NPY1R, NPY5R, NPY2R SMN1; SMN2 3265/4885RAB9A 2657/4885MEN1 207/4885
US-20060111380-A1 Novel azole derivatives NPY1R, NPY5R, NPY2R SMN1; SMN2 3105/4885RAB9A 2739/4885MEN1 198/4885

“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.

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