SCHEMBL559633

SCHEMBL559633

Clc1cccc(-n2cncn2)c1Cl

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CRHBP P24387 1/20 0.46
CRHR2 Q13324 1/20 0.46
KDM4E B2RXH2 2/20 0.44
NOTUM Q6P988 1/20 0.44
P2RX7 Q99572 6/20 0.43
ALDH1A1 P00352 1/20 0.43
MAPT P10636 1/20 0.43
CYP2A6 P11509 1/20 0.41
DRD2 P14416 2/20 0.40
DRD3 P35462 2/20 0.40
ADRB1 P08588 1/20 0.40
LMNA P02545 1/20 0.38
HCAR1 Q9BXC0 1/20 0.38
KCNJ5 P48544 1/20 0.38
KCNJ3 P48549 1/20 0.38

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
SCHEMBL1485032 0.85 CRHBP (0.48) CRHBPCRHR2KDM4ENOTUMALDH1A1
SCHEMBL10765457 0.79 KCNJ5 (0.46) CRHBPCRHR2KDM4EP2RX7ALDH1A1
SCHEMBL28402161 0.78 CYP1A2 (0.56) CRHBPCRHR2KDM4ENOTUMALDH1A1
SCHEMBL28397579 0.77 KMT2A (0.41) CRHBPCRHR2ALDH1A1MAPT
SCHEMBL28401471 0.76 PARP1 (0.42) CRHBPCRHR2KDM4EALDH1A1MAPT
SCHEMBL3255936 0.72 NPC1 (0.53) KDM4ENOTUMP2RX7ALDH1A1MAPT
SCHEMBL22702104 0.71 CYP2A6 (0.39) CRHBPCRHR2KDM4EALDH1A1MAPT
SCHEMBL17034418 0.71 KCNJ5 (0.47) CRHBPCRHR2KDM4EP2RX7ALDH1A1
SCHEMBL19234731 0.71 KCNJ5 (0.42) CRHBPCRHR2KDM4EALDH1A1MAPT
SCHEMBL19961719 0.70 MAPK1 (0.56) KDM4ENOTUMALDH1A1MAPTCYP2A6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2416808-A1 IMAGING THE CENTRAL NERVOUS SYSTEM WITH PURINERGIC P2X7 RECEPTOR BINDING AGENTS GE Healthcare UK Limited (GB) 2012-02-15 EP disclosed
US-20120034165-A1 IMAGING THE CENTRAL NERVOUS SYSTEM WITH PURINERGIC P2X7 RECEPTOR BINDING AGENTS GE HEALTHCARE LIMITED (GB) 2012-02-09 US disclosed
US-20120034165-A1 IMAGING THE CENTRAL NERVOUS SYSTEM WITH PURINERGIC P2X7 RECEPTOR BINDING AGENTS GE HEALTHCARE LIMITED (GB) 2012-02-09 US disclosed
US-20120034165-A1 IMAGING THE CENTRAL NERVOUS SYSTEM WITH PURINERGIC P2X7 RECEPTOR BINDING AGENTS GE HEALTHCARE LIMITED (GB) 2012-02-09 US disclosed
WO-2010115881-A1 IMAGING THE CENTRAL NERVOUS SYSTEM WITH PURINERGIC P2X7 RECEPTOR BINDING AGENTS GE HEALTHCARE LIMITED (GB) 2010-10-14 WO disclosed
US-7709469-B2 P2X7 receptor antagonists and methods of use ABBOTT LABORATORIES (US) 2010-05-04 US disclosed
US-20070105842-A1 P2X7 receptor antagonists and methods of use ABBVIE INC. 2007-05-10 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-20070105842-A1 P2X7 receptor antagonists and methods of use P2RX7, P2RX1, P2RX3 CRHBP 4032/4885CRHR2 880/4885KDM4E 2718/4885
US-20120034165-A1 IMAGING THE CENTRAL NERVOUS SYSTEM WITH PURINERGIC P2X7 RECEPTOR BINDING AGENTS P2RX3, P2RX7, P2RX5 CRHBP 1428/4885CRHR2 618/4885KDM4E 4385/4885

“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.