SCHEMBL896605

SCHEMBL896605

Oc1c(Br)cc(I)cc1C(F)(F)F

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA4 P22748 1/20 0.38
CA6 P23280 1/20 0.38
CHEK1 O14757 1/20 0.37
DAPK3 O43293 1/20 0.37
RET P07949 1/20 0.37
PDGFRB P09619 1/20 0.37
PIM1 P11309 1/20 0.37
PDGFRA P16234 1/20 0.37
KDR P35968 1/20 0.37
MAPK8 P45983 1/20 0.37
RPS6KA3 P51812 1/20 0.37
LIMK1 P53667 1/20 0.37
TYRO3 Q06418 1/20 0.37
MAPK14 Q16539 1/20 0.37
LRRK2 Q5S007 1/20 0.37
AURKB Q96GD4 1/20 0.37
TTR P02766 3/20 0.36
CYP3A4 P08684 2/20 0.36

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
SCHEMBL482949 0.79 IGF1R (0.47) CA1CA2CA4CA6CHEK1
SCHEMBL7929970 0.78 TTR (0.56) CHEK1DAPK3RETPDGFRBPIM1
SCHEMBL282136 0.78 CYP3A4 (0.56) CA1CA2CA4CA6CYP3A4
SCHEMBL9321667 0.77 CYP3A4 (0.37) CA1CA2CA4CA6TTR
SCHEMBL4935468 0.77 CYP3A4 (0.58) CA1CA2CA4CA6CHEK1
SCHEMBL10824723 0.75 TSHR (0.42) CA1CA2CA4CA6CYP3A4
SCHEMBL20973548 0.75 ERN1 (0.46) CA1CA2CA4CA6CYP3A4
SCHEMBL22400411 0.75 NOTUM (0.35) NOTUMMEN1KMT2A
SCHEMBL30688789 0.75 NOTUM (0.35) NOTUMMEN1KMT2A
SCHEMBL26341394 0.75 ADRB2 (0.31) ADRB2

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 34 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9637478-B2 Antiviral compounds and uses thereof ABBVIE INC. (US) 2017-05-02 US disclosed
EP-2411352-B1 ANTIVIRAL COMPOUNDS AND USES THEREOF ABBVIE INC (US) 2017-01-18 EP disclosed
US-20160368905-A1 ANTIVIRAL COMPOUNDS AND USES THEREOF ABBOTT LABORATORIES 2016-12-22 US disclosed
CN-105924386-A Antiviral Compounds And Uses Thereof ABBVIE 公司 2016-09-07 CN disclosed
EP-2639226-B1 Anti-infective pyrimidines and uses thereof ABBVIE BAHAMAS LTD (BS) 2016-08-31 EP disclosed
US-9353091-B2 Antiviral compounds and uses thereof ABBVIE INC. (US) 2016-05-31 US disclosed
US-9139536-B2 Anti-infective agents and uses thereof ABBVIE INC. (US) 2015-09-22 US disclosed
US-9095590-B2 Anti-infective agents and uses thereof ABBVIE INC. (US) 2015-08-04 US disclosed
US-20150056164-A1 Antiviral Compounds and Uses Thereof ABBVIE INC. (US) 2015-02-26 US disclosed
US-20140294766-A1 Anti-Infective Agents and Uses Thereof ABBVIE INC (US) 2014-10-02 US disclosed
EP-2368882-A1 ANTI-INFECTIVE PYRIMIDINES AND USES THEREOF ABBOTT LABORATORIES (US) 2011-09-28 EP disclosed
EP-2203431-B1 ANTI-INFECTIVE PYRIMIDINES AND USES THEREOF ABBOTT LAB (US) 2011-08-10 EP disclosed
US-20110070193-A1 Anti-Infective Agents and Uses Thereof ABBOTT LABORATORIES (US) 2011-03-24 US disclosed
CN-101842360-A Anti-infective pyrimidines and uses thereof ABBOTT LAB 2010-09-22 CN disclosed
EP-2222646-A1 URACIL OR THYMINE DERIVATIVE FOR TREATING HEPATITIS C Abbott Laboratories (US) 2010-09-01 EP disclosed
CN-101801935-A Uracil or thymine derivatives for the treatment of hepatitis C ABBOTT LAB 2010-08-11 CN disclosed
EP-2203431-A1 ANTI-INFECTIVE PYRIMIDINES AND USES THEREOF Abbott Laboratories (US) 2010-07-07 EP disclosed
US-20090186912-A1 ANTI-INFECTIVE AGENTS AND USES THEREOF ABBOTT LABORATORIES (US) 2009-07-23 US disclosed
WO-2009039134-A1 ANTI-INFECTIVE PYRIMIDINES AND USES THEREOF ABBOTT LABORATORIES (US) 2009-03-26 WO disclosed
WO-2009039127-A1 URACIL OR THYMINE DERIVATIVE FOR TREATING HEPATITIS C ABBOTT LABORATORIES (US) 2009-03-26 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 (5 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-20110070193-A1 Anti-Infective Agents and Uses Thereof MPO, SERPINB1, ELANE CA1 2881/4885CA2 1429/4885CA4 1762/4885
US-20150056164-A1 Antiviral Compounds and Uses Thereof MAVS, ZC3HAV1, EIF2AK2 CA1 3987/4885CA2 3738/4885CA4 2966/4885
US-20160368905-A1 ANTIVIRAL COMPOUNDS AND USES THEREOF MAVS, ZC3HAV1, EIF2AK2 CA1 3987/4885CA2 3738/4885CA4 2966/4885
US-20140294766-A1 Anti-Infective Agents and Uses Thereof MPO, SERPINB1, ELANE CA1 2881/4885CA2 1429/4885CA4 1762/4885
US-20090186912-A1 ANTI-INFECTIVE AGENTS AND USES THEREOF MPO, SERPINB1, ELANE CA1 2881/4885CA2 1429/4885CA4 1762/4885

“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.