SCHEMBL12439596

SCHEMBL12439596

Oc1cc(-c2ccccc2)nc2c3ccccc3nn12

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.48
TSHR P16473 1/20 0.48
HSD17B10 Q99714 1/20 0.48
ADORA3 P0DMS8 2/20 0.47
ADORA1 P30542 1/20 0.47
PDPK1 O15530 1/20 0.46
LMNA P02545 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
PDE10A Q9Y233 1/20 0.45
ACHE P22303 1/20 0.45
DHODH Q02127 1/20 0.43
HPGD P15428 1/20 0.42
POLB P06746 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
HSP90AB1 P08238 1/20 0.40
ABCB1 P08183 1/20 0.40
ABCG2 Q9UNQ0 1/20 0.40
PSIP1 O75475 1/20 0.40
CYP2C9 P11712 1/20 0.40
AKR1C3 P42330 1/20 0.40

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
SCHEMBL12439588 0.82 KDM4E (0.48) KDM4ETSHRHSD17B10ADORA3ADORA1
SCHEMBL17717076 0.71 AHR (0.59) KDM4ETSHRHSD17B10LMNASMN1; SMN2
SCHEMBL5143556 0.70 ALDH1A1 (0.44) KDM4ETSHRHSD17B10LMNASMN1; SMN2
SCHEMBL28886754 0.70 KDM4E (0.49) KDM4EADORA3ADORA1PDPK1LMNA
SCHEMBL1256551 0.70 ACHE (0.61) KDM4ETSHRLMNASMN1; SMN2PDE10A
SCHEMBL23521093 0.69 TP53 (0.58) KDM4ELMNASMN1; SMN2HPGD
SCHEMBL5200396 0.69 KDM4E (0.46) KDM4ETSHRHSD17B10LMNASMN1; SMN2
SCHEMBL2459037 0.69 KDM4E (0.56) KDM4ETSHRHSD17B10LMNASMN1; SMN2
SCHEMBL20696076 0.68 ACHE (0.59) KDM4ETSHRLMNASMN1; SMN2PDE10A
Methane SCHEMBL10433561 0.68 ACHE (0.59) KDM4ETSHRLMNASMN1; SMN2PDE10A

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.