SCHEMBL3731983

SCHEMBL3731983

O=C(O)c1sccc1NCc1ccnc2ccccc12

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 5/20 0.61
RAF1 P04049 1/20 0.61
LCK P06239 1/20 0.61
RET P07949 1/20 0.61
CYP3A4 P08684 1/20 0.61
KIT P10721 1/20 0.61
MAP3K20 Q9NYL2 1/20 0.61
RIPK3 Q9Y572 1/20 0.61
MAPK9 P45984 3/20 0.48
MAPK8 P45983 2/20 0.48
MAPK10 P53779 2/20 0.48
CYP1A2 P05177 1/20 0.46
FLT1 P17948 4/20 0.45
HDAC6 Q9UBN7 1/20 0.44
FAAH O00519 1/20 0.41
HTR1A P08908 2/20 0.41
ADRA1D P25100 2/20 0.41
ADRA1A P35348 2/20 0.41
ADRA1B P35368 2/20 0.41
PTPN2 P17706 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
Hydrochloric Acid SCHEMBL3737793 0.99 KDR (0.60) KDRRAF1LCKRETCYP3A4
SCHEMBL4276210 0.89 KDR (0.60) KDRRAF1LCKRETCYP3A4
SCHEMBL3733006 0.87 MAPK10 (0.65) KDRRAF1LCKRETCYP3A4
SCHEMBL5797537 0.85 KDR (0.55) KDRRAF1LCKRETCYP3A4
SCHEMBL4848887 0.85 KDR (0.62) KDRRAF1LCKRETCYP3A4
SCHEMBL4844219 0.84 KDR (0.64) KDRRAF1LCKRETCYP3A4
SCHEMBL4848688 0.84 KDR (0.58) KDRRAF1LCKRETCYP3A4
SCHEMBL5796912 0.84 KDR (0.53) KDRRAF1LCKRETCYP3A4
SCHEMBL4851040 0.82 KDR (0.61) KDRRAF1LCKRETCYP3A4
SCHEMBL4847094 0.81 KDR (0.65) KDRRAF1LCKRETCYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150290235-A1 USE OF SMALL MOLECULE INHIBITORS/ACTIVATORS IN COMBINATION WITH (DEOXY)NUCLEOSIDE OR (DEOXY)NUCLEOTIDE ANALOGS FOR TREATMENT OF CANCER AND HEMATOLOGICAL MALIGNANCIES OR VIRAL INFECTIONS AB SCIENCE (FR) 2015-10-15 US disclosed
EP-2922572-A1 USE OF SMALL MOLECULE INHIBITORS/ACTIVATORS IN COMBINATION WITH (DEOXY)NUCLEOSIDE OR (DEOXY)NUCLEOTIDE ANALOGS FOR TREATMENT OF CANCER AND HEMATOLOGICAL MALIGNANCIES OR VIRAL INFECTIONS AB Science (FR) 2015-09-30 EP disclosed
WO-2014079709-A1 USE OF SMALL MOLECULE INHIBITORS/ACTIVATORS IN COMBINATION WITH (DEOXY)NUCLEOSIDE OR (DEOXY)NUCLEOTIDE ANALOGS FOR TREATMENT OF CANCER AND HEMATOLOGICAL MALIGNANCIES OR VIRAL INFECTIONS AB SCIENCE (FR) 2014-05-30 WO disclosed
US-7829717-B2 (Arylamidoaryl)squaramide compounds OSI PHARMACEUTICALS, INC. (US) 2010-11-09 US disclosed
US-7829717-B2 (Arylamidoaryl)squaramide compounds OSI PHARMACEUTICALS, INC. (US) 2010-11-09 US disclosed
US-7829717-B2 (Arylamidoaryl)squaramide compounds OSI PHARMACEUTICALS, INC. (US) 2010-11-09 US disclosed
US-7388012-B2 (Hydrazido)(amino)thiophene compounds OSI PHARMACEUTICALS, INC. (US) 2008-06-17 US disclosed
US-7388012-B2 (Hydrazido)(amino)thiophene compounds OSI PHARMACEUTICALS, INC. (US) 2008-06-17 US disclosed
US-20060111349-A1 (Arylamidoaryl)squaramide compounds OSI PHARMACEUTICALS, INC. 2006-05-25 US disclosed
WO-2006034111-A1 (ARYLAMIDOARYL)SQUARAMIDE COMPOUNDS OSI PHARMACEUTICALS, INC. (US) 2006-03-30 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 (2 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-20060111349-A1 (Arylamidoaryl)squaramide compounds KIT, TSSK6, MCTS1 KDR 1120/4885RAF1 833/4885LCK 549/4885
US-20150290235-A1 USE OF SMALL MOLECULE INHIBITORS/ACTIVATORS IN COMBINATION WITH (DEOXY)NUCLEOSIDE OR (DEOXY)NUCLEOTIDE ANALOGS FOR TREATMENT OF CANCER AND HEMATOLOGICAL MALIGNANCIES OR VIRAL INFECTIONS DCK, ADK, DTYMK KDR 802/4885RAF1 573/4885LCK 217/4885

“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.