SCHEMBL2961850

SCHEMBL2961850

CCCc1ccc2c(Cl)ccnc2n1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.39
LMNA P02545 3/20 0.39
CYP3A4 P08684 1/20 0.39
TSHR P16473 1/20 0.39
SREBF2 Q12772 9/20 0.39
MAPT P10636 3/20 0.38
ATM Q13315 3/20 0.38
HSD17B10 Q99714 1/20 0.36
L3MBTL1 Q9Y468 2/20 0.33
ALDH1A1 P00352 1/20 0.33
PDE3B Q13370 1/20 0.33
PDE3A Q14432 1/20 0.33
AXL P30530 1/20 0.33
PRKCI P41743 1/20 0.33
RECQL P46063 1/20 0.33
PDE4A P27815 1/20 0.32
PDE4B Q07343 1/20 0.32
PDE4C Q08493 1/20 0.32
PDE4D Q08499 1/20 0.32
ADORA2A P29274 1/20 0.32

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
SCHEMBL2968781 0.90 KCNH2 (0.40) LMNASREBF2PDE3BPDE3AAXL
SCHEMBL2022566 0.86 AXL (0.35) KDM4ELMNACYP3A4TSHRMAPT
SCHEMBL2968648 0.80 PDE3B (0.34) PDE3BPDE3AAXLPRKCI
SCHEMBL2970208 0.79 KDM4E (0.42) KDM4ELMNACYP3A4TSHRSREBF2
SCHEMBL17613404 0.78 IDO1 (0.39) KDM4ELMNACYP3A4TSHRSREBF2
SCHEMBL15268008 0.77 KDM4E (0.37) KDM4ELMNACYP3A4TSHRSREBF2
SCHEMBL2016453 0.74 ADORA1 (0.47) KDM4EMAPTAXLPRKCIADORA2A
SCHEMBL2023814 0.74 AXL (0.39) KDM4ELMNACYP3A4MAPTALDH1A1
SCHEMBL2968253 0.73 AXL (0.32) AXLPRKCI
SCHEMBL13230482 0.73 SREBF2 (0.42) KDM4ELMNACYP3A4TSHRSREBF2

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
US-8338605-B2 Anti-viral compounds ABBOTT LABORATORIES (US) 2012-12-25 US disclosed
US-20100256139-A1 Anti-Viral Compounds ABBOTT LABORATORIES (US) 2010-10-07 US disclosed
EP-1979349-B1 ANTI-VIRAL COMPOUNDS ABBOTT LAB (US) 2010-07-28 EP disclosed
US-7763731-B2 Anti-viral compounds ABBOTT LABORATORIES (US) 2010-07-27 US disclosed
EP-1979349-A2 ANTI-VIRAL COMPOUNDS Abbott Laboratories (US) 2008-10-15 EP disclosed
US-20070232645-A1 ANTI-VIRAL COMPOUNDS ABBVIE INC. 2007-10-04 US disclosed
WO-2007076035-A2 ANTI-VIRAL COMPOUNDS ABBOTT LABORATORIES (US) 2007-07-05 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 (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-20070232645-A1 ANTI-VIRAL COMPOUNDS HAVCR2, MAVS, EIF2AK2 KDM4E 1822/4885LMNA 3252/4885CYP3A4 273/4885
US-20100256139-A1 Anti-Viral Compounds HAVCR2, MAVS, EIF2AK2 KDM4E 1822/4885LMNA 3252/4885CYP3A4 273/4885

“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.