SCHEMBL1944702

SCHEMBL1944702

FC(F)(F)Oc1cccc(-c2cn3nc(NCCN4CCOCC4)sc3n2)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIM1 P11309 3/20 0.55
PIM3 Q86V86 1/20 0.48
PIM2 Q9P1W9 1/20 0.48
ABL1 P00519 5/20 0.44
BCR P11274 4/20 0.44
ACP1 P24666 1/20 0.43
CYP1A2 P05177 4/20 0.43
CYP3A4 P08684 4/20 0.43
CYP2D6 P10635 3/20 0.43
HSD17B10 Q99714 3/20 0.43
USP2 O75604 2/20 0.43
CLK4 Q9HAZ1 2/20 0.43
FYN P06241 1/20 0.43
CYP2C19 P33261 1/20 0.43
F2RL3 Q96RI0 1/20 0.42
ALDH1A1 P00352 2/20 0.42
DYRK1A Q13627 1/20 0.41
ITGB2 P05107 1/20 0.41
ICAM1 P05362 1/20 0.41
ITGAL P20701 1/20 0.41

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
SCHEMBL2253772 0.91 ACP1 (0.52) PIM1PIM3PIM2ACP1F2RL3
SCHEMBL624084 0.90 F2RL3 (0.45) PIM1PIM3PIM2ACP1F2RL3
SCHEMBL627162 0.90 F2RL3 (0.44) PIM1PIM3PIM2ACP1F2RL3
SCHEMBL625517 0.90 PIM1 (0.47) PIM1PIM3PIM2ACP1F2RL3
SCHEMBL1946571 0.87 F2RL3 (0.52) FYNF2RL3ALDH1A1ITGB2ICAM1
SCHEMBL1946130 0.86 F2RL3 (0.49) ACP1CYP3A4CYP2D6FYNF2RL3
SCHEMBL1944572 0.84 SCN9A (0.41) PIM1ACP1F2RL3
SCHEMBL623029 0.84 ACKR3 (0.51) PIM1ACP1F2RL3
SCHEMBL1945395 0.84 LMNA (0.46) ACP1CYP1A2CYP3A4CYP2D6HSD17B10
SCHEMBL1944168 0.83 PIM1 (0.55) PIM1PIM3PIM2FYNF2RL3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2307425-B1 IMIDAZOTHIADIAZOLES DERIVATIVES MERCK PATENT GMBH (DE) 2014-03-26 EP claimed
EP-2307425-B1 IMIDAZOTHIADIAZOLES DERIVATIVES MERCK PATENT GMBH (DE) 2014-03-26 EP disclosed
US-8389554-B2 Imidazothiadiazole derivatives MERCK Patent Gesellschaft mit beschränkter Haftung (DE) 2013-03-05 US disclosed
US-20110130396-A1 IMIDAZOTHIADIAZOLE DERIVATIVES MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2011-06-02 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-20110130396-A1 IMIDAZOTHIADIAZOLE DERIVATIVES TGFBR1, TGFBR2, IGF1R PIM1 72/4885PIM3 159/4885PIM2 132/4885

“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.