SCHEMBL12439588

SCHEMBL12439588

Clc1cc(-c2ccccc2)nc2c3ccccc3nn12

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.48
TSHR P16473 1/20 0.48
HSD17B10 Q99714 1/20 0.48
ADORA3 P0DMS8 2/20 0.47
ADORA1 P30542 2/20 0.47
PDPK1 O15530 1/20 0.46
ACHE P22303 1/20 0.45
SMN1; SMN2 Q16637 5/20 0.43
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
HPGD P15428 2/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
ALDH1A1 P00352 2/20 0.43
LMNA P02545 2/20 0.42
PDE10A Q9Y233 1/20 0.42
TP53 P04637 1/20 0.41
MAPT P10636 3/20 0.41
DHODH Q02127 1/20 0.40
CYP19A1 P11511 1/20 0.40
NPC1 O15118 1/20 0.39

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
SCHEMBL12439596 0.82 KDM4E (0.48) KDM4ETSHRHSD17B10ADORA3ADORA1
SCHEMBL29152855 0.72 ALDH1A1 (0.52) KDM4EHSD17B10SMN1; SMN2MEN1KMT2A
SCHEMBL15391567 0.71 ADORA3 (0.44) KDM4ETSHRHSD17B10ADORA3ADORA1
SCHEMBL3296447 0.71 KDM4E (0.61) KDM4EHSD17B10ADORA1SMN1; SMN2KMT2A
SCHEMBL28886754 0.70 KDM4E (0.49) KDM4EADORA3ADORA1PDPK1ACHE
SCHEMBL13304790 0.70 MAPT (0.57) KDM4ETSHRHSD17B10SMN1; SMN2MEN1
SCHEMBL12953261 0.70 ALDH1A1 (0.50) KDM4EHSD17B10SMN1; SMN2MEN1KMT2A
SCHEMBL13304777 0.70 ALDH1A1 (0.50) KDM4EHSD17B10SMN1; SMN2MEN1KMT2A
SCHEMBL1010204 0.70 CDK2 (0.69) KDM4ESMN1; SMN2MEN1KMT2AHPGD
SCHEMBL785473 0.70 ACHE (0.61) KDM4EADORA1ACHESMN1; SMN2MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110178107-A1 HCV PROTEASE INHIBITORS TAIGEN BIOTECHNOLOGY CO., LTD. (TW) 2011-07-21 US disclosed
US-20110178107-A1 HCV PROTEASE INHIBITORS TAIGEN BIOTECHNOLOGY CO., LTD. (TW) 2011-07-21 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 (1 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-20110178107-A1 HCV PROTEASE INHIBITORS HAVCR2, RNASE1, SERPINB1 KDM4E 2187/4885TSHR 3757/4885HSD17B10 588/4885

“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.