SCHEMBL16664683

SCHEMBL16664683

CN(C)c1nccc(N)c1C(=O)OC(C)(C)C

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM6 O15303 1/20 0.37
ALDH1A1 P00352 3/20 0.36
KDM4E B2RXH2 2/20 0.35
GLA P06280 2/20 0.35
GAA P10253 2/20 0.35
MAPT P10636 2/20 0.35
HPGD P15428 2/20 0.35
HIF1A Q16665 2/20 0.35
THRB P10828 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
HTT P42858 1/20 0.35
HSD17B10 Q99714 1/20 0.35
ATR Q13535 1/20 0.34
CDC7 O00311 1/20 0.33
CCNE1 P24864 1/20 0.33
CDK2 P24941 1/20 0.33
DBF4 Q9UBU7 1/20 0.33
CA12 O43570 1/20 0.33

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
SCHEMBL28152838 0.79 ATR (0.47) GRM6ALDH1A1KDM4EGLAGAA
SCHEMBL16664661 0.78 ATR (0.44) ALDH1A1ATRMAP4K4CISD2
SCHEMBL16648947 0.78 KDM4E (0.42) ALDH1A1KDM4EGAAMAPTTHRB
SCHEMBL7080699 0.78 GRM6 (0.41) GRM6ALDH1A1KDM4EGLAGAA
SCHEMBL27963566 0.74 ATR (0.38) GRM6ALDH1A1KDM4EGLAGAA
SCHEMBL29448053 0.73 POLB (0.42) ALDH1A1KDM4EMAPTSMN1; SMN2ATR
SCHEMBL2730411 0.72 GRM6 (0.49) GRM6ALDH1A1KDM4EGLAGAA
SCHEMBL6255617 0.72 ATR (0.37) GRM6ALDH1A1MAPTHSD17B10ATR
SCHEMBL15390795 0.71 ATR (0.45) GRM6ALDH1A1KDM4EGLAGAA
SCHEMBL5556257 0.71 GRM6 (0.40) GRM6ALDH1A1ATRCA12CA1

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-9458170-B2 Compound of camptothecin and preparation and use thereof YULIANG LI (CN) 2016-10-04 US disclosed
US-9458170-B2 Compound of camptothecin and preparation and use thereof YULIANG LI (CN) 2016-10-04 US disclosed
US-20150166559-A1 COMPOUND OF CAMPTOTHECIN AND PREPARATION AND USE THEREOF Li, Yuliang (CN) 2015-06-18 US disclosed
US-20150166559-A1 COMPOUND OF CAMPTOTHECIN AND PREPARATION AND USE THEREOF Li, Yuliang (CN) 2015-06-18 US disclosed
EP-2862571-A1 COMPOUND OF CAMPTOTHECIN AND PREPARATION AND USE THEREOF Li, Yuliang (MN) 2015-04-22 EP disclosed
CN-103509030-A Camptothecin compound and preparation and application thereof LI YULIANG 2014-01-15 CN 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-20150166559-A1 COMPOUND OF CAMPTOTHECIN AND PREPARATION AND USE THEREOF TOP2A, TOP2B, TYMP GRM6 4716/4885ALDH1A1 1386/4885KDM4E 4067/4885

“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.