SCHEMBL4820100

SCHEMBL4820100

C#CCNC(=O)c1cccc(Cl)c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 1/20 0.58
MEN1 O00255 2/20 0.57
KMT2A Q03164 2/20 0.57
ALDH1A1 P00352 2/20 0.57
TP53 P04637 1/20 0.57
CYP1A2 P05177 1/20 0.57
CYP2D6 P10635 1/20 0.57
CYP2C9 P11712 1/20 0.57
CYP2C19 P33261 1/20 0.57
CA1 P00915 2/20 0.55
CA2 P00918 2/20 0.55
P2RX7 Q99572 1/20 0.52
GPR139 Q6DWJ6 2/20 0.52
ATM Q13315 1/20 0.52
PKM P14618 1/20 0.51
HPGD P15428 1/20 0.51
DRD2 P14416 1/20 0.51
DRD4 P21917 1/20 0.51
DRD3 P35462 1/20 0.51
CSNK2A2 P19784 1/20 0.51

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
SCHEMBL10501825 0.85 CTSV (0.63) GRM5MEN1KMT2AALDH1A1TP53
SCHEMBL28527018 0.83 HDAC8 (0.59) MEN1KMT2ACA1CA2GPR139
SCHEMBL29650963 0.83 HDAC8 (0.59) MEN1KMT2ACA1CA2GPR139
SCHEMBL4154673 0.83 ALDH1A1 (0.56) GRM5MEN1KMT2AALDH1A1TP53
SCHEMBL31116810 0.82 KDM4E (0.54) KMT2AALDH1A1CA1CA2CA12
SCHEMBL27136913 0.82 L3MBTL1 (0.67) MEN1KMT2AALDH1A1CYP1A2CYP2C19
SCHEMBL4813469 0.82 HDAC1 (0.57) MEN1KMT2AALDH1A1CYP1A2CYP2D6
SCHEMBL3348765 0.82 CA12 (0.53) KMT2ATP53CA1CA2CA12
SCHEMBL31607772 0.82 L3MBTL1 (0.67) MEN1KMT2AALDH1A1CYP1A2CYP2C19
SCHEMBL18704329 0.81 CA12 (0.63) MEN1KMT2AALDH1A1CYP1A2CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115745982-A Oxadiazole compound and preparation method and application thereof 中国药科大学 2023-03-07 CN disclosed
EP-1740579-B1 TRICYCLIC PYRAZOLE KINASE INHIBITORS ABBVIE INC (US) 2015-08-19 EP disclosed
US-7468371-B2 Tricyclic pyrazole kinase inhibitors ABBOTT LABORATORIES INC. (US) 2008-12-23 US disclosed
EP-1740579-A1 TRICYCLIC PYRAZOLE KINASE INHIBITORS Abbott Laboratories (US) 2007-01-10 EP disclosed
US-20060014816-A1 Tricyclic pyrazole kinase inhibitors ABBVIE INC. 2006-01-19 US disclosed
WO-2005095387-A1 TRICYCLIC PYRAZOLE KINASE INHIBITORS ABBOTT LABORATORIES (US) 2005-10-13 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 (1 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-20060014816-A1 Tricyclic pyrazole kinase inhibitors PRKDC, PRKACA, PIK3C3 GRM5 1797/4885MEN1 3383/4885KMT2A 1384/4885

“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.