SCHEMBL1772174

SCHEMBL1772174

Clc1ccc(-c2cncs2)nc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIM1 P11309 3/20 0.39
CD38 P28907 2/20 0.39
CASP3 P42574 1/20 0.38
CNR2 P34972 1/20 0.37
KMT2A Q03164 2/20 0.36
SLC6A3 Q01959 3/20 0.34
SLC6A2 P23975 2/20 0.34
MAPT P10636 2/20 0.33
DYRK1A Q13627 1/20 0.33
LRRK2 Q5S007 1/20 0.33
KDM4E B2RXH2 1/20 0.33
MEN1 O00255 1/20 0.33
NPC1 O15118 1/20 0.33
XBP1 P17861 1/20 0.33
NFKB1 P19838 1/20 0.33
AHR P35869 1/20 0.33
HTT P42858 1/20 0.33
RAB9A P51151 1/20 0.33
NFKB2 Q00653 1/20 0.33
RELA Q04206 1/20 0.33

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
SCHEMBL9287981 0.77 CCR1 (0.56) PIM1CD38KMT2ASLC6A3MAPT
SCHEMBL1771486 0.77 HDAC8 (0.40) PIM1CD38KMT2AMAPTDYRK1A
SCHEMBL8309617 0.75 CD38 (0.49) CD38KMT2ASLC6A3SLC6A2MAPT
SCHEMBL24970240 0.74 MAPT (0.40) CASP3CNR2KMT2AMAPTKDM4E
SCHEMBL197456 0.73 CCR1 (0.46) CASP3CNR2
SCHEMBL31504098 0.73 CCR1 (0.46) CASP3CNR2
SCHEMBL12487834 0.73 KDM4E (0.56) CASP3KMT2AMAPTKDM4EMEN1
SCHEMBL16159178 0.73 PIM1 (0.43) PIM1MAPTDYRK1A
SCHEMBL9259287 0.73 PIM1 (0.37) PIM1CD38SLC6A3MAPTDYRK1A
SCHEMBL19777204 0.73 RXFP1 (0.40) PIM1CASP3SLC6A3MAPTLRRK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117946138-A And ring nitrogen-containing compound, intermediate thereof, preparation method and application 杭州圣域生物医药科技有限公司 2024-04-30 CN disclosed
US-20110112110-A1 ANTIPROLIFERATIVE COMPOUNDS AND THERAPEUTIC USES THEREOF UNIVERSITA' DEGLISTUDI DI MILANO- BICOCCA (IT) 2011-05-12 US disclosed
US-20110112110-A1 ANTIPROLIFERATIVE COMPOUNDS AND THERAPEUTIC USES THEREOF UNIVERSITA' DEGLISTUDI DI MILANO- BICOCCA (IT) 2011-05-12 US disclosed
US-20110112110-A1 ANTIPROLIFERATIVE COMPOUNDS AND THERAPEUTIC USES THEREOF UNIVERSITA' DEGLISTUDI DI MILANO- BICOCCA (IT) 2011-05-12 US disclosed
WO-2009121535-A2 ANTIPROLIFERATIVE COMPOUNDS AND THERAPEUTIC USES THEREOF UNIVERSITA`DEGLI STUDI DI MILANO - BICOCCA (IT) 2009-10-08 WO disclosed
WO-2009121535-A2 ANTIPROLIFERATIVE COMPOUNDS AND THERAPEUTIC USES THEREOF UNIVERSITA`DEGLI STUDI DI MILANO - BICOCCA (IT) 2009-10-08 WO disclosed
EP-2107054-A1 Antiproliferative compounds and therapeutic uses thereof Università Degli Studi Di Milano - Bicocca (IT) 2009-10-07 EP 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-20110112110-A1 ANTIPROLIFERATIVE COMPOUNDS AND THERAPEUTIC USES THEREOF ABL1, MKI67, BCR PIM1 321/4885CD38 1565/4885CASP3 773/4885

“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.