SCHEMBL1053943

SCHEMBL1053943

Clc1cnc2[nH]cc(I)c2c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 1/20 0.58
BRD4 O60885 1/20 0.47
CYP2C9 P11712 4/20 0.42
CYP3A4 P08684 4/20 0.42
CYP2C19 P33261 2/20 0.42
CHEK1 O14757 1/20 0.42
MAPK1 P28482 1/20 0.41
CYP2D6 P10635 1/20 0.40
KIT P10721 3/20 0.38
LCK P06239 1/20 0.38
PGR P06401 1/20 0.38
CSF1R P07333 1/20 0.38
CHRM2 P08172 1/20 0.38
HTR1A P08908 1/20 0.38
ADRA2A P08913 1/20 0.38
PDGFRB P09619 1/20 0.38
ADORA3 P0DMS8 1/20 0.38
CHRM1 P11229 1/20 0.38
PDGFRA P16234 1/20 0.38
FLT1 P17948 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
Ammonia Solution, Strong SCHEMBL27890807 0.98 JAK2 (0.57) JAK2BRD4CYP2C9CYP3A4CYP2C19
SCHEMBL15241762 0.80 BRD4 (0.49) JAK2BRD4CHEK1MAPK1KIT
SCHEMBL20408723 0.80 KIT (0.59) JAK2BRD4KITAXLCDK8
SCHEMBL1880862 0.77 BRD4 (0.47) BRD4MAPK1KITAXLCDK8
SCHEMBL11968454 0.77 BRD4 (0.47) JAK2BRD4CHEK1MAPK1KIT
SCHEMBL1045946 0.77 BRD4 (0.54) JAK2BRD4CYP2C9CYP3A4CYP2C19
SCHEMBL29928376 0.77 JAK2 (0.54) JAK2CYP2C9CYP3A4CYP2C19MAPK1
SCHEMBL12657249 0.77 JAK2 (0.54) JAK2CYP2C9CYP3A4CYP2C19CYP2D6
SCHEMBL68662 0.77 DYRK1A (0.58) JAK2BRD4CHEK1MAPK1CSF1R
SCHEMBL31228005 0.77 BRD4 (0.54) JAK2BRD4CYP2C9CYP3A4CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119431362-A Substituted heteroaryl carboxylic acid compound, preparation method and pharmaceutical application thereof 中国医学科学院药物研究所 2025-02-14 CN disclosed
CN-118488947-A Condensed ring substituted six-membered heterocyclic compound, preparation method and application thereof 劲方医药科技(上海)有限公司 2024-08-13 CN disclosed
WO-2023131122-A1 FUSED RING-SUBSTITUTED SIX-MEMBERED HETEROCYCLIC COMPOUND, AND PREPARATION METHOD THEREFOR AND USE THEREOF 劲方医药科技(上海)有限公司 2023-07-13 WO disclosed
WO-2023131122-A1 FUSED RING-SUBSTITUTED SIX-MEMBERED HETEROCYCLIC COMPOUND, AND PREPARATION METHOD THEREFOR AND USE THEREOF 劲方医药科技(上海)有限公司 2023-07-13 WO disclosed
US-20230056447-A1 TYK2 INHIBITORS AND USES THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2023-02-23 US disclosed
US-11180495-B2 Nitrogen heteroaryl derivative having CSF1R inhibitory activity, and preparation method therefor and application thereof ABBISKO THERAPEUTICS CO., LTD. (CN) 2021-11-23 US disclosed
US-11046698-B2 TYK2 inhibitors and uses thereof NIMBUS LAKSHMI, INC. (US) 2021-06-29 US disclosed
CN-109071567-B Anti-influenza small molecule compound and preparation method and application thereof 四川大学 2021-03-23 CN disclosed
CN-110461841-B Nitrogen heteroaryl derivative with CSF1R inhibitory activity, and preparation method and application thereof 上海和誉生物医药科技有限公司 2020-09-15 CN disclosed
US-20200140431-A1 NITROGEN HETEROARYL DERIVATIVE HAVING CSF1R INHIBITORY ACTIVITY, AND PREPARATION METHOD THEREFOR AND APPLICATION THEREOF ABBISKO THERAPEUTICS CO., LTD. (CN) 2020-05-07 US disclosed
US-20080167338-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON INC 2008-07-10 US disclosed
US-20080167338-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON INC 2008-07-10 US disclosed
WO-2008079903-A1 PYRROLO [2, 3-B] PYRIDINE DERIVATIVES AS KINASE MODULATORS PLEXXIKON, INC. (US) 2008-07-03 WO disclosed
WO-2008080001-A2 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON, INC. (US) 2008-07-03 WO disclosed
WO-2008080001-A2 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON, INC. (US) 2008-07-03 WO disclosed
WO-2008080015-A2 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON, INC. (US) 2008-07-03 WO disclosed
WO-2008080015-A2 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON, INC. (US) 2008-07-03 WO disclosed
WO-2008064265-A2 COMPOUNDS MODULATING C-FMS AND/OR C-KIT ACTIVITY AND USES THEREFOR PLEXXIKON, INC. (US) 2008-05-29 WO disclosed
WO-2008005457-A2 PYRIDINONYL PDK1 INHIBITORS SUNESIS PHARMACEUTICALS (US) 2008-01-10 WO disclosed
WO-2008005457-A2 PYRIDINONYL PDK1 INHIBITORS SUNESIS PHARMACEUTICALS (US) 2008-01-10 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-20080167338-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR MAP3K20, MAP3K13, MAP3K8 JAK2 244/4885BRD4 727/4885CYP2C9 4746/4885
US-11046698-B2 TYK2 inhibitors and uses thereof TYK2, JAK2, JAK1 JAK2 2/4885BRD4 223/4885CYP2C9 4115/4885
US-20200140431-A1 NITROGEN HETEROARYL DERIVATIVE HAVING CSF1R INHIBITORY ACTIVITY, AND PREPARATION METHOD THEREFOR AND APPLICATION THEREOF CSF1R, CSF3R, FSHR JAK2 690/4885BRD4 3061/4885CYP2C9 3017/4885
US-20230056447-A1 TYK2 INHIBITORS AND USES THEREOF TYK2, JAK2, JAK1 JAK2 2/4885BRD4 223/4885CYP2C9 4115/4885
US-11180495-B2 Nitrogen heteroaryl derivative having CSF1R inhibitory activity, and preparation method therefor and application thereof CSF1R, CSF3R, FSHR JAK2 690/4885BRD4 3061/4885CYP2C9 3017/4885

“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.