SCHEMBL5773733

SCHEMBL5773733

Nc1ccc(-c2cn3ccsc3n2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 12/20 0.68
LMNA P02545 2/20 0.68
RAB9A P51151 10/20 0.66
NPC1 O15118 9/20 0.66
SMN1; SMN2 Q16637 9/20 0.66
MAPT P10636 7/20 0.66
NFKB1 P19838 3/20 0.66
NFKB2 Q00653 3/20 0.66
RELA Q04206 3/20 0.66
HPGD P15428 4/20 0.56
ALDH1A1 P00352 1/20 0.56
ALOX15 P16050 1/20 0.56
ALOX12 P18054 1/20 0.56
HSD17B10 Q99714 1/20 0.56
TSHR P16473 3/20 0.56
RXFP1 Q9HBX9 1/20 0.56
POLB P06746 1/20 0.54
HTT P42858 2/20 0.52
PKM P14618 1/20 0.52
NPSR1 Q6W5P4 1/20 0.52

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
SCHEMBL12970198 0.83 NPC1 (0.66) TP53LMNARAB9ANPC1SMN1; SMN2
SCHEMBL1692138 0.83 NPC1 (0.66) TP53LMNARAB9ANPC1SMN1; SMN2
SCHEMBL4147815 0.83 NPC1 (0.66) TP53LMNARAB9ANPC1SMN1; SMN2
SCHEMBL1728599 0.83 SMN1; SMN2 (0.66) TP53LMNARAB9ANPC1SMN1; SMN2
SCHEMBL12692485 0.83 SMN1; SMN2 (0.70) TP53LMNARAB9ANPC1SMN1; SMN2
SCHEMBL30059210 0.83 NPC1 (0.66) TP53LMNARAB9ANPC1SMN1; SMN2
SCHEMBL969616 0.83 NPC1 (0.66) TP53LMNARAB9ANPC1SMN1; SMN2
SCHEMBL2496897 0.83 TP53 (0.68) TP53LMNARAB9ANPC1SMN1; SMN2
SCHEMBL12919983 0.83 NPC1 (0.65) TP53LMNARAB9ANPC1SMN1; SMN2
Bromide SCHEMBL3869607 0.82 SMN1; SMN2 (0.68) TP53LMNARAB9ANPC1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117447490-A Fluorescent probe with AIE (AIE) property, preparation method thereof and application of fluorescent probe in Al 3+ Application in recognition 阜阳师范大学 2024-01-26 CN disclosed
EP-2681221-B1 TRICYCLIC INHIBITORS OF KINASES ABBVIE INC (US) 2016-05-18 EP disclosed
US-8710065-B2 Tricyclic inhibitors of kinases ABBVIE INC. (US) 2014-04-29 US disclosed
EP-2681221-A1 TRICYCLIC INHIBITORS OF KINASES AbbVie Inc. (US) 2014-01-08 EP disclosed
WO-2012161812-A1 TRICYCLIC INHIBITORS OF KINASES ABBOTT LABORATORIES (US) 2012-11-29 WO disclosed
US-20120220572-A1 TRICYCLIC INHIBITORS OF KINASES ABBOTT LABORATORIES (US) 2012-08-30 US disclosed
US-20060276433-A1 Hydrazone derivative DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2006-12-07 US disclosed
EP-1612204-A1 HYDRAZONE DERIVATIVE DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2006-01-04 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 (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-20120220572-A1 TRICYCLIC INHIBITORS OF KINASES WEE1, WEE2, CDK1 TP53 527/4885LMNA 3229/4885RAB9A 2519/4885
US-20060276433-A1 Hydrazone derivative APP, PRNP, HTT TP53 1546/4885LMNA 861/4885RAB9A 3127/4885

“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.