SCHEMBL2182806

SCHEMBL2182806

CN(C)CCNc1nnc2c(n1)c(=O)n(C)c(=O)n2-c1ccc(F)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.42
GAA P10253 1/20 0.42
CYP2D6 P10635 1/20 0.41
TSHR P16473 2/20 0.38
HSD17B10 Q99714 2/20 0.38
KDM4E B2RXH2 1/20 0.38
PKM P14618 1/20 0.38
HPGD P15428 1/20 0.38
DCTPP1 Q9H773 1/20 0.37
ADORA2A P29274 1/20 0.37
ADORA1 P30542 1/20 0.37
RAD52 P43351 1/20 0.36
POLB P06746 2/20 0.35
KAT2B Q92831 2/20 0.35
LMNA P02545 2/20 0.35
TP53 P04637 1/20 0.35
HTT P42858 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
MEN1 O00255 1/20 0.34
USP2 O75604 1/20 0.34

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
SCHEMBL2184364 0.94 ALDH1A1 (0.38) ALDH1A1GAACYP2D6TSHRHSD17B10
SCHEMBL2183045 0.94 RAD52 (0.43) ALDH1A1GAATSHRHSD17B10KDM4E
SCHEMBL3259625 0.93 RAD52 (0.37) ALDH1A1GAACYP2D6TSHRHSD17B10
SCHEMBL2182082 0.90 ALDH1A1 (0.40) ALDH1A1CYP2D6TSHRHSD17B10KDM4E
SCHEMBL2181445 0.87 DCTPP1 (0.38) ALDH1A1CYP2D6TSHRHSD17B10DCTPP1
SCHEMBL2182838 0.87 DCTPP1 (0.38) ALDH1A1CYP2D6TSHRHSD17B10DCTPP1
SCHEMBL2183482 0.86 ALDH1A1 (0.42) ALDH1A1TSHRHSD17B10KDM4EHPGD
SCHEMBL2183481 0.85 DCTPP1 (0.37) ALDH1A1CYP2D6TSHRHSD17B10DCTPP1
SCHEMBL2182078 0.85 DCTPP1 (0.37) ALDH1A1CYP2D6TSHRHSD17B10DCTPP1
SCHEMBL2182925 0.85 RAD52 (0.39) ALDH1A1GAACYP2D6TSHRHSD17B10

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-20230181524-A1 PHARMACEUTICAL COMBINATION AND USE THEREOF NATURAL MEDICINE INSTITUTE OF ZHEJIANG YANGSHENGTANG CO., LTD. (CN) 2023-06-15 US disclosed
EP-4129282-A1 PHARMACEUTICAL COMBINATION AND USE THEREOF NATURAL MEDICINE INSTITUTE OF ZHEJIANG YANGSHENGTANG CO., LTD. (CN) 2023-02-08 EP disclosed
US-20110166144-A1 Pyrimidotriazinediones and Pyrimidopyrimidinediones and Methods of Using the Same THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2011-07-07 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-20230181524-A1 PHARMACEUTICAL COMBINATION AND USE THEREOF TCF4, TCF7L2, CTNNB1 ALDH1A1 1526/4885GAA 2804/4885CYP2D6 3881/4885
US-20110166144-A1 Pyrimidotriazinediones and Pyrimidopyrimidinediones and Methods of Using the Same DPYD, TYMP, DHFR ALDH1A1 245/4885GAA 1134/4885CYP2D6 125/4885

“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.