SCHEMBL2634528

SCHEMBL2634528

Cn1nc(N)c2cc(C(F)(F)F)ccc21

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 4/20 0.42
KIF11 P52732 1/20 0.41
AKT1 P31749 1/20 0.40
PKM P14618 2/20 0.40
ALDH1A1 P00352 2/20 0.40
AURKB Q96GD4 2/20 0.40
DYRK3 O43781 1/20 0.40
JAK2 O60674 1/20 0.40
ROCK2 O75116 1/20 0.40
MAP4K4 O95819 1/20 0.40
EGFR P00533 1/20 0.40
NTRK1 P04629 1/20 0.40
INSR P06213 1/20 0.40
LCK P06239 1/20 0.40
FYN P06241 1/20 0.40
CSF1R P07333 1/20 0.40
LYN P07948 1/20 0.40
RET P07949 1/20 0.40
MET P08581 1/20 0.40
KIT P10721 1/20 0.40

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
SCHEMBL30054489 1.00 SCN9A (0.42) SCN9AKIF11AKT1PKMALDH1A1
SCHEMBL16752831 0.87 SCN9A (0.51) SCN9AKIF11AKT1PKMALDH1A1
SCHEMBL13106172 0.81 ADORA2A (0.53) KIF11PKMALDH1A1CCR2KCNH2
SCHEMBL14737962 0.80 KIF11 (0.41) SCN9AKIF11PKMALDH1A1CCR2
Ammonia Solution, Strong SCHEMBL28811085 0.80 ADORA2A (0.52) KIF11PKMALDH1A1CCR2KCNH2
SCHEMBL5583119 0.80 CCR2 (0.39) KIF11PKMCCR2KCNH2MAT2A
SCHEMBL18538052 0.79 MAPT (0.41) KIF11PKMALDH1A1CCR2KCNH2
SCHEMBL9179915 0.77 SCN9A (0.41) SCN9AALDH1A1GSK3BKDM4ESLC2A1
SCHEMBL3655093 0.77 PRKCI (0.41) SCN9AALDH1A1CSNK1A1GSK3BTAOK1
SCHEMBL2661304 0.76 ICMT (0.36) SCN9AKIF11AKT1PKMALDH1A1

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
CN-115551848-A Heterocyclic compounds for controlling invertebrate pests 巴斯夫欧洲公司 2022-12-30 CN disclosed
US-10336727-B2 Histone demethylase inhibitors CELGENE QUANTICEL RESEARCH, INC. (US) 2019-07-02 US disclosed
US-20180305336-A1 HISTONE DEMETHYLASE INHIBITORS CELGENE QUANTICEL RESEARCH, INC. (US) 2018-10-25 US disclosed
US-10040779-B2 Histone demethylase inhibitors CELGENE QUANTICEL RESEARCH, INC. (US) 2018-08-07 US disclosed
EP-2934145-B1 HISTONE DEMETHYLASE INHIBITORS CELGENE QUANTICEL RES INC (US) 2017-11-15 EP disclosed
US-20170174656-A1 HISTONE DEMETHYLASE INHIBITORS CELGENE QUANTICEL RES INC (US) 2017-06-22 US disclosed
US-9617242-B2 Histone demethylase inhibitors CELGENE QUANTICEL RESEARCH, INC. (US) 2017-04-11 US disclosed
CN-106414440-A Aryl and heteroaryl substituted imidazo [1,2-a ] pyridine-3-carboxamides and their use 拜耳制药股份公司 2017-02-15 CN disclosed
US-20160362408-A1 ARYL- AND HETARYL-SUBSTITUTED IMIDAZO[1,2-A]PYRIDINE-3-CARBOXAMIDES AND USE THEREOF BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2016-12-15 US disclosed
EP-3077394-A1 ARYL- AND HETARYL-SUBSTITUTED IMIDAZO[1,2-A]PYRIDINE-3-CARBOXAMIDES AND USE THEREOF Bayer Pharma Aktiengesellschaft (DE) 2016-10-12 EP disclosed
US-20070244169-A1 GLUCOKINASE ACTIVATORS TAKEDA SAN DIEGO, INC. 2007-10-18 US disclosed
US-20070244169-A1 GLUCOKINASE ACTIVATORS TAKEDA SAN DIEGO, INC. 2007-10-18 US disclosed
WO-2007075847-A2 GLUCOKINASE ACTIVATORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-07-05 WO disclosed
WO-2007075847-A2 GLUCOKINASE ACTIVATORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-07-05 WO disclosed
EP-1483241-A4 CYCLIC DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY BRISTOL MYERS SQUIBB CO (US) 2006-12-13 EP disclosed
US-7087604-B2 Cyclic derivatives as modulators of chemokine receptor activity BRISTOL-MYERS SQUIBB COMPANY (US) 2006-08-08 US disclosed
US-20060135503-A1 Cyclic derivatives as modulators of chemokine receptors activity CHERNEY ROBERT J 2006-06-22 US disclosed
EP-1483241-A2 CYCLIC DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY Bristol-Myers Squibb Company (US) 2004-12-08 EP disclosed
US-20030216434-A1 Cyclic derivatives as modulators of chemokine receptor activity BRISTOL-MYERS SQUIBB COMPANY 2003-11-20 US disclosed
WO-2003075853-A2 CYCLIC DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY BRISTOL-MYERS SQUIBB COMPANY (US) 2003-09-18 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 (8 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-20180305336-A1 HISTONE DEMETHYLASE INHIBITORS KDM1B, KDM5A, KDM5C SCN9A 3558/4885KIF11 4326/4885AKT1 2511/4885
US-10040779-B2 Histone demethylase inhibitors KDM1B, KDM5A, KDM5C SCN9A 3558/4885KIF11 4326/4885AKT1 2511/4885
US-20170174656-A1 HISTONE DEMETHYLASE INHIBITORS KDM1B, KDM5A, KDM5C SCN9A 3558/4885KIF11 4326/4885AKT1 2511/4885
US-20160362408-A1 ARYL- AND HETARYL-SUBSTITUTED IMIDAZO[1,2-A]PYRIDINE-3-CARBOXAMIDES AND USE THEREOF AADAC, PAH, CYP2C8 SCN9A 4187/4885KIF11 4880/4885AKT1 3519/4885
US-20070244169-A1 GLUCOKINASE ACTIVATORS GCK, GCKR, GALK1 SCN9A 3230/4885KIF11 3005/4885AKT1 1091/4885
US-20060135503-A1 Cyclic derivatives as modulators of chemokine receptors activity CCL11, CCR1, CCL2 SCN9A 2562/4885KIF11 3391/4885AKT1 873/4885
US-10336727-B2 Histone demethylase inhibitors KDM1B, KDM5A, KDM5C SCN9A 3558/4885KIF11 4326/4885AKT1 2511/4885
US-20030216434-A1 Cyclic derivatives as modulators of chemokine receptor activity CCR1, CCL11, CXCR1 SCN9A 2238/4885KIF11 3349/4885AKT1 840/4885

“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.