SCHEMBL4151854

SCHEMBL4151854

O=C(Nc1ccc2[nH]nc(C(=O)Nc3ccccc3)c2c1)c1ccco1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FLT3 P36888 3/20 0.60
▸ CDK2 P24941 2/20 0.60
▸ CCNA2 P20248 1/20 0.60
▸ CCNA1 P78396 1/20 0.60
▸ RAB9A P51151 4/20 0.59
▸ MEN1 O00255 4/20 0.57
▸ KMT2A Q03164 4/20 0.57
▸ SMN1; SMN2 Q16637 4/20 0.57
▸ MAPT P10636 3/20 0.57
▸ TP53 P04637 3/20 0.57
▸ NPC1 O15118 2/20 0.57
▸ GFER P55789 1/20 0.57
▸ ITK Q08881 1/20 0.56
▸ KCNK3 O14649 1/20 0.54
▸ KCNK9 Q9NPC2 1/20 0.54
▸ JAK2 O60674 1/20 0.54
▸ JAK1 P23458 1/20 0.54
▸ TSHR P16473 1/20 0.54
▸ HAO1 Q9UJM8 1/20 0.53
▸ CSNK2A1 P68400 2/20 0.53

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
SCHEMBL4149817 0.82 FLT3 (0.67) FLT3CDK2CCNA2CCNA1MAPT
SCHEMBL5945598 0.79 FLT3 (0.65) FLT3CDK2CCNA2CCNA1RAB9A
SCHEMBL4007094 0.78 FLT3 (0.72) FLT3CDK2CCNA2CCNA1JAK2
SCHEMBL5373976 0.78 ITK (0.61) RAB9AMEN1KMT2ASMN1; SMN2MAPT
SCHEMBL5800211 0.77 MAPT (0.62) RAB9AMEN1KMT2ASMN1; SMN2MAPT
SCHEMBL2997673 0.77 RAB9A (1.00) RAB9AMEN1KMT2ASMN1; SMN2MAPT
SCHEMBL4153422 0.77 FLT3 (0.70) FLT3CDK2CCNA2CCNA1JAK2
SCHEMBL5945795 0.77 FLT3 (0.71) FLT3CDK2CCNA2CCNA1TP53
SCHEMBL30912934 0.77 FLT3 (0.70) FLT3CDK2CCNA2CCNA1JAK2
SCHEMBL5945798 0.77 FLT3 (0.70) FLT3CDK2CCNA2CCNA1JAK2

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-20090054397-A1 PYRAZOLE COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS COMPRISING THE COMPOUND OHI NORIHITO 2009-02-26 — — US disclosed
US-7429609-B2 Pyrazole compound and medicinal composition containing the same EISAI R & D MANAGEMENT CO., LTD. (JP) 2008-09-30 — — US disclosed
US-20050261339-A1 Pyrazole compound and medicinal composition containing the same EISAI R&D MANAGEMENT CO., LTD. (JP) 2005-11-24 — — US disclosed
US-20050208582-A1 Pyrazole compounds and pharmaceutical compositions comprising the compound EISAI R&D MANAGEMENT CO., LTD. (JP) 2005-09-22 — — US disclosed
CN-1656079-A Pyrazole compounds and pharmaceutical compositions containing the same EISAI CO LTD (JP) 2005-08-17 — — CN disclosed
EP-1510516-A1 PYRAZOLE COMPOUND AND MEDICINAL COMPOSITION CONTAINING THE SAME Eisai Co., Ltd. (JP) 2005-03-02 — — 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-20090054397-A1 PYRAZOLE COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS COMPRISING THE COMPOUND CNKSR1, NR3C2, CSNK2B FLT3 815/4885CDK2 176/4885CCNA2 538/4885
US-20050261339-A1 Pyrazole compound and medicinal composition containing the same CNKSR1, NR3C2, CSNK2B FLT3 702/4885CDK2 194/4885CCNA2 567/4885

“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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