SCHEMBL659718

SCHEMBL659718

Cc1ccnc2c1NC(=O)C2

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE3A Q14432 2/20 0.37
ALDH1A1 P00352 1/20 0.37
LMNA P02545 1/20 0.37
POLB P06746 1/20 0.37
ADORA3 P0DMS8 1/20 0.37
MAPK1 P28482 1/20 0.37
ADORA2A P29274 1/20 0.37
ADORA1 P30542 1/20 0.37
PDE3B Q13370 1/20 0.35
SRC P12931 1/20 0.34
RAB9A P51151 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
MAPT P10636 2/20 0.33
AHR P35869 1/20 0.33
CHEK1 O14757 1/20 0.33
AURKA O14965 1/20 0.33
DAPK3 O43293 1/20 0.33
PRKD3 O94806 1/20 0.33
MAP4K4 O95819 1/20 0.33
ABL1 P00519 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
SCHEMBL14494399 0.84 PDE3A (0.36) PDE3AALDH1A1LMNAPOLBADORA3
SCHEMBL26135340 0.79 TDP2 (0.37) PDE3AALDH1A1LMNAPOLBADORA3
SCHEMBL30613656 0.79 TDP2 (0.37) PDE3AALDH1A1LMNAPOLBADORA3
SCHEMBL29545667 0.78 DAO (0.37) PDE3APDE3BAHRCHEK1AURKA
SCHEMBL18238550 0.77 MEN1 (0.33) PDE3APDE3BAHRCHEK1AURKA
SCHEMBL2398708 0.76 SRC (0.42) PDE3APDE3BSRCMAPTCHEK1
SCHEMBL16563587 0.73 PDE3A (0.36) PDE3AALDH1A1LMNAPOLBADORA3
SCHEMBL19153747 0.72 SRC (0.32) SRCAHR
SCHEMBL19153340 0.70 AHR (0.44) PDE3APDE3BSRCMAPTAHR
SCHEMBL19153175 0.70 RAB9A (0.31) SRCRAB9ANPSR1MAPTAHR

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-20170202970-A1 SILICON BASED DRUG CONJUGATES AND METHODS OF USING SAME BLINKBIO, INC. 2017-07-20 US disclosed
WO-2012022707-A1 SUBSTITUTED HETEROARYL SPIROPYRROLIDINE MDM2 ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2012-02-23 WO disclosed
US-20120046306-A1 Substituted Heteroaryl Spiropyrrolidine MDM2 Antagonists BARTKOVITZ DAVID JOSEPH (US) 2012-02-23 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-20170202970-A1 SILICON BASED DRUG CONJUGATES AND METHODS OF USING SAME CD44, MSN, AS3MT PDE3A 4572/4885ALDH1A1 2151/4885LMNA 3473/4885
US-20120046306-A1 Substituted Heteroaryl Spiropyrrolidine MDM2 Antagonists MDM2, TP53, RB1 PDE3A 4328/4885ALDH1A1 1065/4885LMNA 2845/4885

“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.