SCHEMBL2864296

SCHEMBL2864296

O=C(NCCCN1CCOCC1)c1ccc2[nH]nc(-c3cccc(F)c3)c2c1

nearest known ligand 0.60

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPK8 P45983 1/20 0.60
MAPK10 P53779 1/20 0.60
MAPK14 Q16539 1/20 0.60
WNT1 P04628 2/20 0.53
DYRK1A Q13627 2/20 0.53
ALDH1A1 P00352 1/20 0.51
FLT3 P36888 3/20 0.51
NAMPT P43490 1/20 0.50
PARP1 P09874 1/20 0.50
HTR1A P08908 1/20 0.50
DRD2 P14416 1/20 0.50
HTR2A P28223 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50

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
SCHEMBL2862072 0.95 DYRK1A (0.59) MAPK8MAPK10MAPK14WNT1DYRK1A
SCHEMBL6532946 0.90 CD274 (0.59) MAPK8MAPK10MAPK14WNT1DYRK1A
SCHEMBL2866818 0.85 DYRK1A (0.58) WNT1DYRK1APARP1
SCHEMBL13049889 0.85 MEN1 (0.58) MAPK8MAPK10MAPK14WNT1DYRK1A
SCHEMBL8287072 0.81 KMT2A (0.58) WNT1DYRK1AFLT3NAMPT
SCHEMBL5386803 0.80 MAPK8 (0.52) MAPK8MAPK10MAPK14WNT1DYRK1A
SCHEMBL6844208 0.80 KDR (0.54) MAPK8MAPK10MAPK14WNT1DYRK1A
SCHEMBL12231987 0.79 MAPK8 (0.64) MAPK8MAPK10MAPK14ALDH1A1PARP1
SCHEMBL2870409 0.79 JAK2 (0.56) MAPK10DYRK1AALDH1A1FLT3
SCHEMBL16496167 0.79 SMN1; SMN2 (0.57) ALDH1A1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7776890-B2 1H-indazole compounds EISAI R&D MANAGEMENT CO., LTD. (JP) 2010-08-17 US disclosed
US-7776890-B2 1H-indazole compounds EISAI R&D MANAGEMENT CO., LTD. (JP) 2010-08-17 US disclosed
US-7776890-B2 1H-indazole compounds EISAI R&D MANAGEMENT CO., LTD. (JP) 2010-08-17 US disclosed
EP-1380576-B1 1H-INDAZOLE COMPOUNDS INHIBITING JNK EISAI R&D MAN CO LTD (JP) 2009-11-25 EP disclosed
US-20090203691-A1 Novel 1H-indazole compounds OINUMA HITOSHI 2009-08-13 US disclosed
US-20090203691-A1 Novel 1H-indazole compounds OINUMA HITOSHI 2009-08-13 US disclosed
US-20090203691-A1 Novel 1H-indazole compounds OINUMA HITOSHI 2009-08-13 US disclosed
US-7541376-B2 1H-indazole compounds EISAI R&D MANAGEMENT CO., LTD. (JP) 2009-06-02 US disclosed
US-6982274-B2 1H-indazole compound EISAI CO., LTD. (JP) 2006-01-03 US disclosed
US-20050282880-A1 Novel 1H-indazole compounds EISAI R&D MANAGEMENT CO., LTD. (JP) 2005-12-22 US disclosed
US-20040127538-A1 Novel 1h-indazole compound EISAI R&D MANAGEMENT CO., LTD. (JP) 2004-07-01 US disclosed
EP-1380576-A1 NOVEL 1H-INDAZOLE COMPOUND Eisai Co., Ltd. (JP) 2004-01-14 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 (3 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-20090203691-A1 Novel 1H-indazole compounds MAPK1, MAPK3, MAPK13 MAPK8 10/4885MAPK10 29/4885MAPK14 4/4885
US-20040127538-A1 Novel 1h-indazole compound MAPK1, MAPK14, MAPK3 MAPK8 9/4885MAPK10 27/4885MAPK14 2/4885
US-20050282880-A1 Novel 1H-indazole compounds MAPK1, MAPK3, MAPK13 MAPK8 10/4885MAPK10 29/4885MAPK14 4/4885

“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.