SCHEMBL4327031

SCHEMBL4327031

CC(=O)NCCNC(=O)c1ccc2[nH]nc(-c3ccc4ccccc4c3)c2c1F

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 2/20 0.41
MTNR1B P49286 2/20 0.41
HDAC3 O15379 1/20 0.40
HDAC4 P56524 1/20 0.40
HDAC1 Q13547 1/20 0.40
HDAC7 Q8WUI4 1/20 0.40
HDAC2 Q92769 1/20 0.40
HDAC10 Q969S8 1/20 0.40
HDAC11 Q96DB2 1/20 0.40
HDAC8 Q9BY41 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
HDAC9 Q9UKV0 1/20 0.40
HDAC5 Q9UQL6 1/20 0.40
MAPK1 P28482 3/20 0.39
ABL1 P00519 5/20 0.38
BCR P11274 5/20 0.38
KDR P35968 2/20 0.38
CDK4 P11802 1/20 0.37
CCNA2 P20248 1/20 0.37
CCND1 P24385 1/20 0.37

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
SCHEMBL4334940 0.86 MAP4K4 (0.48) MTNR1AMTNR1BMAPK1ABL1BCR
SCHEMBL4329359 0.85 ROCK2 (0.45) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL2861587 0.82 KDR (0.49) KDRWNT1DYRK1ANPC1RAB9A
SCHEMBL4332488 0.82 MAPK10 (0.39) MTNR1AMTNR1BMAPK1JAK2JAK3
SCHEMBL4331298 0.82 KDM4E (0.42) MAPK1JAK2JAK3NPC1RAB9A
SCHEMBL2867525 0.81 ALPL (0.50) MAPK1KDRCDK4CCNA2CCND1
SCHEMBL4342267 0.81 HPGD (0.50) MAPK1NPC1RAB9A
SCHEMBL2857443 0.81 CA12 (0.46) MAPK1KDRCDK4CCNA2CCND1
SCHEMBL4341086 0.80 MAPK1 (0.41) MAPK1KDRCDK4CCNA2CCND1
SCHEMBL2867128 0.80 MAPK1 (0.58) MAPK1

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-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-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-20050282880-A1 Novel 1H-indazole compounds EISAI R&D MANAGEMENT CO., LTD. (JP) 2005-12-22 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 (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-20090203691-A1 Novel 1H-indazole compounds MAPK1, MAPK3, MAPK13 MTNR1A 1223/4885MTNR1B 1230/4885HDAC3 51/4885
US-20050282880-A1 Novel 1H-indazole compounds MAPK1, MAPK3, MAPK13 MTNR1A 1223/4885MTNR1B 1230/4885HDAC3 51/4885

“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.