SCHEMBL18237692

SCHEMBL18237692

CC(C)c1ccc2c(=O)nc[nH]c2n1

nearest known ligand 0.33

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM5B Q9UGL1 1/20 0.33
ADORA2A P29274 1/20 0.33
ADORA1 P30542 1/20 0.33
KDM4E B2RXH2 1/20 0.33
KDM4A O75164 1/20 0.33
KDM5C P41229 1/20 0.33
KDM4D Q6B0I6 1/20 0.33
KDM4C Q9H3R0 1/20 0.33
CHEK1 O14757 1/20 0.33
PARP1 P09874 1/20 0.33
PIM1 P11309 1/20 0.33
RPS6KA3 P51812 1/20 0.33
CCNT1 O60563 1/20 0.30
CCNA2 P20248 1/20 0.30
CDK2 P24941 1/20 0.30
CDK9 P50750 1/20 0.30
CCNA1 P78396 1/20 0.30
CDK5 Q00535 1/20 0.30
CDK5R1 Q15078 1/20 0.30

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
SCHEMBL19153396 0.77 ADORA2A (0.56) ADORA2AADORA1KDM4ECHEK1PARP1
SCHEMBL8047934 0.75 KDM4E (0.36) KDM5BKDM4EKDM4AKDM5CKDM4D
SCHEMBL13024472 0.75 ADORA2A (0.62) ADORA2AADORA1KDM4E
SCHEMBL12413624 0.73 LMNA (0.32) ADORA2A
SCHEMBL18237693 0.73 KDM5B (0.33) KDM5B
SCHEMBL19130906 0.73 PDE2A (0.36) KDM5BKDM4EKDM4AKDM5CKDM4D
SCHEMBL18237576 0.73 KDM5B (0.33) KDM5B
SCHEMBL18237704 0.73 PARP1 (0.42) KDM5BADORA2AKDM4EKDM4AKDM5C
SCHEMBL15980676 0.71 TGFBR1 (0.34) KDM5BCHEK1PARP1PIM1RPS6KA3
SCHEMBL18237575 0.67 KDM5B (0.33) KDM5BKDM4EKDM4AKDM5CKDM4D

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9931407-B2 Silicon based drug conjugates and methods of using same BLINKBIO, INC. (US) 2018-04-03 US disclosed
US-20170202970-A1 SILICON BASED DRUG CONJUGATES AND METHODS OF USING SAME BLINKBIO, INC. 2017-07-20 US disclosed
WO-2016183359-A1 SILICON BASED DRUG CONJUGATES AND METHODS OF USING SAME BLINKBIO, INC. (US) 2016-11-17 WO 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-20170202970-A1 SILICON BASED DRUG CONJUGATES AND METHODS OF USING SAME CD44, MSN, AS3MT KDM5B 2616/4885ADORA2A 4582/4885ADORA1 4484/4885

“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.