SCHEMBL2862072

SCHEMBL2862072

O=C(NCCN1CCOCC1)c1ccc2[nH]nc(-c3cccc(F)c3)c2c1

nearest known ligand 0.59

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 3/20 0.59
WNT1 P04628 2/20 0.59
PARP1 P09874 2/20 0.56
CD274 Q9NZQ7 2/20 0.55
HPGD P15428 1/20 0.53
MAPK8 P45983 1/20 0.53
MAPK10 P53779 1/20 0.53
MAPK14 Q16539 1/20 0.53
CYP1A2 P05177 1/20 0.52
CYP2D6 P10635 1/20 0.52
CYP2C19 P33261 1/20 0.52
HPGDS O60760 2/20 0.51
HTR3A P46098 1/20 0.51
POLB P06746 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
SCHEMBL2864296 0.95 MAPK8 (0.60) DYRK1AWNT1PARP1MAPK8MAPK10
SCHEMBL2866818 0.91 DYRK1A (0.58) DYRK1AWNT1PARP1HTR3A
SCHEMBL6532946 0.84 CD274 (0.59) DYRK1AWNT1PARP1CD274MAPK8
SCHEMBL8257270 0.82 WNT1 (0.57) DYRK1AWNT1CD274HPGDMAPK8
SCHEMBL13812159 0.81 ALDH1A1 (0.60) DYRK1AWNT1CD274HPGDCYP1A2
SCHEMBL2870409 0.81 JAK2 (0.56) DYRK1AHPGDMAPK10
SCHEMBL29584690 0.80 CYP2C19 (0.69) PARP1CD274HPGDCYP1A2CYP2D6
SCHEMBL5379559 0.79 WNT1 (0.56) DYRK1AWNT1PARP1MAPK8
SCHEMBL13049889 0.79 MEN1 (0.58) DYRK1AWNT1MAPK8MAPK10MAPK14
SCHEMBL16495429 0.78 CD274 (0.60) CD274HPGDHPGDS

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 14 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
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
CN-1300116-C 1H-indazole compounds EISAI CO LTD (JP) 2007-02-14 CN 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
CN-1512987-A Novel 1H-indazole compound ������������ʽ���� 2004-07-14 CN disclosed
US-20040127538-A1 Novel 1h-indazole compound EISAI R&D MANAGEMENT CO., LTD. (JP) 2004-07-01 US 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 DYRK1A 1216/4885WNT1 77/4885PARP1 2269/4885
US-20040127538-A1 Novel 1h-indazole compound MAPK1, MAPK14, MAPK3 DYRK1A 2459/4885WNT1 77/4885PARP1 2343/4885
US-20050282880-A1 Novel 1H-indazole compounds MAPK1, MAPK3, MAPK13 DYRK1A 1216/4885WNT1 77/4885PARP1 2269/4885

“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.