SCHEMBL3459262

SCHEMBL3459262

N#CCc1cc2c(C(=O)O)cccn2n1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 1/20 0.37
RECQL P46063 1/20 0.35
ALDH1A1 P00352 4/20 0.34
TDP1 Q9NUW8 2/20 0.34
KDM4E B2RXH2 1/20 0.34
KMT2A Q03164 2/20 0.32
PARP1 P09874 1/20 0.32
ALOX15 P16050 1/20 0.32
POLB P06746 1/20 0.31
APEX1 P27695 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
CAMKK1 Q8N5S9 1/20 0.31
CAMKK2 Q96RR4 1/20 0.31
SPR P35270 2/20 0.31
AKR1C3 P42330 1/20 0.31
AKR1C2 P52895 1/20 0.31
AKR1C1 Q04828 1/20 0.31
NOTUM Q6P988 1/20 0.31
APOBEC3A P31941 1/20 0.31
APOBEC3G Q9HC16 1/20 0.31

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
SCHEMBL3459213 0.86 KDM5A (0.38) DHODHRECQLALDH1A1TDP1KDM4E
SCHEMBL3460245 0.84 DHODH (0.41) DHODHRECQLALDH1A1TDP1KDM4E
SCHEMBL3222485 0.81 DHODH (0.40) DHODHRECQLALDH1A1TDP1KDM4E
SCHEMBL8886936 0.73 DHODH (0.42) DHODHRECQLALDH1A1KDM4EALOX15
SCHEMBL3458365 0.73 DHODH (0.36) DHODHRECQLALDH1A1TDP1PARP1
SCHEMBL3458154 0.71 DHODH (0.35) DHODHPARP1SPR
SCHEMBL3458495 0.71 DHODH (0.40) DHODHRECQLALDH1A1TDP1KDM4E
SCHEMBL1892990 0.69 ALDH1A1 (0.43) DHODHRECQLALDH1A1TDP1KDM4E
SCHEMBL2963896 0.69 HSP90AB1 (0.35) DHODHALDH1A1KMT2APARP1L3MBTL1
SCHEMBL7374036 0.68 KDM4E (0.37) ALDH1A1KDM4EKMT2APOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140038955-A1 HETEROARYL AMIDE ANALOGUES AS P2X7 ANTAGONISTS H. LUNDBECK A/S (DK) 2014-02-06 US disclosed
US-8580812-B2 Heteroaryl amide analogues as P2X7 antagonists H. LUNDBECK A/S (DK) 2013-11-12 US disclosed
EP-2592082-A1 Heteroaryl amide analogues as p2x7 antagonists H. Lundbeck A/S (DK) 2013-05-15 EP disclosed
US-20100266509-A1 HETEROARYL AMIDE ANALOGUES AS P2X7 ANTAGONISTS H. Lindbeck A/S (DK) 2010-10-21 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 (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-20100266509-A1 HETEROARYL AMIDE ANALOGUES AS P2X7 ANTAGONISTS P2RX7, P2RX3, P2RX2 DHODH 3234/4885RECQL 1173/4885ALDH1A1 2338/4885
US-20140038955-A1 HETEROARYL AMIDE ANALOGUES AS P2X7 ANTAGONISTS P2RX7, P2RX3, P2RX2 DHODH 3303/4885RECQL 1340/4885ALDH1A1 2733/4885

“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.