SCHEMBL20164977

SCHEMBL20164977

COC(=O)c1cnc(Cl)c2c1[nH]c1cc(Br)ccc12

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR4A2 P43354 3/20 0.45
TSHR P16473 1/20 0.44
HTT P42858 1/20 0.44
MAPK14 Q16539 1/20 0.43
CDK4 P11802 2/20 0.42
CCND1 P24385 2/20 0.42
CHEK1 O14757 1/20 0.41
DYRK1A Q13627 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
MMP2 P08253 1/20 0.40
MMP9 P14780 1/20 0.40
MMP8 P22894 1/20 0.40
MMP13 P45452 1/20 0.40
JAK2 O60674 2/20 0.39
CCNT1 O60563 1/20 0.38
CCNB2 O95067 1/20 0.38
CCNE2 O96020 1/20 0.38
CDK1 P06493 1/20 0.38
CCNB1 P14635 1/20 0.38
EIF2AK2 P19525 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
SCHEMBL20164981 0.88 MAPK14 (0.46) NR4A2TSHRHTTMAPK14CDK4
SCHEMBL20164978 0.85 GPR17 (0.43) CDK4CCND1JAK2CCNT1CCNB2
SCHEMBL18136510 0.84 JAK2 (0.51) JAK2
SCHEMBL3612956 0.83 NR4A2 (0.51) NR4A2JAK2HSD17B10MPL
SCHEMBL20164967 0.80 JAK2 (0.58) JAK2
SCHEMBL20175450 0.75 PIM3 (0.39) CDK4CCND1JAK2CCNT1CCNB2
SCHEMBL3610664 0.74 JAK2 (0.52) JAK2
SCHEMBL14538194 0.74 ALDH1A1 (0.46) JAK2
SCHEMBL16861845 0.73 NR4A2 (0.39) NR4A2TSHRHTTMAPK14DYRK1A
SCHEMBL9983372 0.73 DYRK1A (0.50) HTTDYRK1AJAK2CDK5CDK5R1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3280418-B1 AZACARBAZOLE BTK INHIBITORS MERCK SHARP & DOHME (US) 2020-05-06 EP disclosed
US-20180141962-A1 AZACARBAZOLE BTK INHIBITORS MERCK SHARP & DOHME CORP. (US) 2018-05-24 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 (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-20180141962-A1 AZACARBAZOLE BTK INHIBITORS BTK, SYK, LYN NR4A2 2315/4885TSHR 589/4885HTT 4706/4885

“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.