SCHEMBL20742166

SCHEMBL20742166

N=C(N)c1ccccc1I

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F2 P00734 4/20 0.44
F10 P00742 3/20 0.44
F12 P00748 1/20 0.44
F7 P08709 1/20 0.44
F3 P13726 1/20 0.44
PKM P14618 1/20 0.44
BLM P54132 1/20 0.42
PRSS1 P07477 4/20 0.41
PRSS2 P07478 3/20 0.41
PRSS3 P35030 3/20 0.41
KMT2A Q03164 2/20 0.41
C1S P09871 1/20 0.41
RECQL P46063 1/20 0.41
MEN1 O00255 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
PLAU P00749 4/20 0.40
F9 P00740 1/20 0.40
WDR5 P61964 1/20 0.38
PLG P00747 2/20 0.35
KLKB1 P03952 1/20 0.35

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
SCHEMBL10495281 0.81 F2 (0.55) F2F10F12F7F3
Hydrochloric Acid SCHEMBL29008442 0.78 BLM (0.57) F2F10F12F7F3
Hydrochloric Acid SCHEMBL28555632 0.78 BLM (0.57) F2F10F12F7F3
SCHEMBL11101821 0.75 MEN1 (0.50) KMT2AMEN1TDP1PTPRFPTPN2
SCHEMBL8813905 0.75 ALDH1A1 (0.56) BLMKMT2ARECQLMEN1TDP1
SCHEMBL967996 0.75 ALDH1A1 (0.56) BLMKMT2ARECQLMEN1TDP1
SCHEMBL6893214 0.75 MEN1 (0.41) PKMKMT2AMEN1TDP1PTPRF
SCHEMBL3630278 0.75 MEN1 (0.41) KMT2AMEN1TDP1PTPRFPTPN2
SCHEMBL752611 0.74 F2 (0.48) F2F10F12F7F3
Hydrochloric Acid SCHEMBL17475571 0.73 ALDH1A1 (0.54) BLMKMT2ARECQLMEN1TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111757893-A anti-MCT 1 antibodies and uses thereof 伊穆奈克斯特股份有限公司 2020-10-09 CN claimed
US-20220259226-A1 MACROCYCLIC MCL-1 INHIBITORS AND METHODS OF USE ABBVIE INC (US) 2022-08-18 US disclosed
US-20210292339-A1 MACROCYCLIC MCL-1 INHIBITORS AND METHODS OF USE ABBVIE INC (US) 2021-09-23 US disclosed
CN-112739343-A Macrocyclic MCL-1 inhibitors and methods of use 艾伯维公司 2021-04-30 CN disclosed
CN-112533598-A Macrocyclic MCL-1 inhibitors and methods of use 艾伯维公司 2021-03-19 CN disclosed
US-20200255451-A1 MACROCYCLIC MCL-1 INHIBITORS AND METHODS OF USE ABBVIE INC (US) 2020-08-13 US disclosed
EP-3668504-A1 MACROCYCLIC MCL-1 INHIBITORS AND METHODS OF USE AbbVie Inc. (US) 2020-06-24 EP disclosed
EP-3668503-A1 MACROCYCLIC MCL-1 INHIBITORS AND METHODS OF USE AbbVie Inc. (US) 2020-06-24 EP disclosed
WO-2019035914-A1 MACROCYCLIC MCL-1 INHIBITORS AND METHODS OF USE ABBVIE INC. (US) 2019-02-21 WO disclosed
WO-2019035899-A1 MACROCYCLIC MCL-1 INHIBITORS AND METHODS OF USE ABBVIE INC. (US) 2019-02-21 WO disclosed
US-20190055264-A1 Macrocyclic MCL-1 inhibitors and methods of use AbbVie Deutschland GmbH & Co. KG (DE) 2019-02-21 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 (4 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-20210292339-A1 MACROCYCLIC MCL-1 INHIBITORS AND METHODS OF USE MCL1, BCL2A1, BCL2L10 F2 2890/4885F10 166/4885F12 57/4885
US-20190055264-A1 Macrocyclic MCL-1 inhibitors and methods of use MCL1, BCL2A1, BCL2L10 F2 2890/4885F10 166/4885F12 57/4885
US-20200255451-A1 MACROCYCLIC MCL-1 INHIBITORS AND METHODS OF USE MCL1, BCL2A1, BCL2L10 F2 2890/4885F10 166/4885F12 57/4885
US-20220259226-A1 MACROCYCLIC MCL-1 INHIBITORS AND METHODS OF USE MCL1, BCL2A1, BCL2L10 F2 2890/4885F10 166/4885F12 57/4885

“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.