SCHEMBL4852024

SCHEMBL4852024

Cc1cc(C)cc(-c2cc(N)[nH]n2)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.39
ALDH1A1 P00352 1/20 0.39
TSHR P16473 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.38
NPC1 O15118 3/20 0.36
RAB9A P51151 3/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
ALPL P05186 3/20 0.36
ADORA2A P29274 1/20 0.35
ADORA1 P30542 1/20 0.35
KDM4E B2RXH2 1/20 0.34
GAA P10253 1/20 0.34
HSD17B10 Q99714 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
POLB P06746 2/20 0.33
MAPT P10636 2/20 0.33
ACR P10323 1/20 0.33
XDH P47989 1/20 0.33
ALK Q9UM73 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
SCHEMBL1143959 0.82 ALPL (0.54) L3MBTL1NPC1RAB9ASMN1; SMN2ALPL
SCHEMBL14726245 0.81 IDO1 (0.53) NOTUMALDH1A1L3MBTL1NPC1RAB9A
SCHEMBL14910773 0.81 CYP11B2 (0.42) ALDH1A1L3MBTL1NPC1RAB9AMEN1
SCHEMBL28466328 0.77 ALPL (0.58) ALDH1A1L3MBTL1NPC1RAB9ASMN1; SMN2
Hydrochloric Acid SCHEMBL9124767 0.75 ALPL (0.56) ALDH1A1L3MBTL1NPC1RAB9ASMN1; SMN2
SCHEMBL3339364 0.75 IKBKE (0.38) ALDH1A1TSHRL3MBTL1ALPLADORA2A
SCHEMBL6226718 0.75 ALDH1A1 (0.53) ALDH1A1NPC1RAB9ASMN1; SMN2ALPL
SCHEMBL19367485 0.74 ADORA2A (0.44) L3MBTL1NPC1RAB9ASMN1; SMN2ADORA2A
SCHEMBL168659 0.72 POLB (0.61) L3MBTL1RAB9AALPLADORA2AADORA1
SCHEMBL2436848 0.72 KDM4E (0.33) TSHRNPC1KDM4EGAAHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7393870-B2 3-(heteroarylamino)methylene-1, 3-dihydro-2H-indol-2-ones as kinase inhibitors ALLERGAN, INC. (US) 2008-07-01 US disclosed
US-20060074116-A1 3-(Heteroarylamino)methylene-1, 3-dihydro-2H-indol-2-ones as kinase inhibitors ALLERGAN, INC. 2006-04-06 US disclosed
US-7005444-B2 3-(heteroarylamino)methylene-1, 3-dihydro-2H-indol-2-ones as kinase inhibitors ALLERGAN, INC. (US) 2006-02-28 US disclosed
US-20030130328-A1 3-(Heteroarylamino)methylene-1, 3-dihydro-2H-indol-2-ones as kinase inhibitors ALLERGAN, INC. 2003-07-10 US disclosed
US-6559173-B1 organic molecules capable of modulating tyrosine kinase signal transduction in order to regulate, modulate and/or inhibit abnormal cell proliferation. ALLERGAN, INC. 2003-05-06 US disclosed
WO-2003026650-A1 3-(HETEROARYLAMINO)METHYLENE-1,3-DIHYDRO-2H-INDOL-2-ONES AS KINASE INHIBITORS ALLERGAN, INC. (US) 2003-04-03 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-20060074116-A1 3-(Heteroarylamino)methylene-1, 3-dihydro-2H-indol-2-ones as kinase inhibitors ERBB2, MKI67, CDK2 NOTUM 4096/4885ALDH1A1 2360/4885TSHR 1741/4885
US-20030130328-A1 3-(Heteroarylamino)methylene-1, 3-dihydro-2H-indol-2-ones as kinase inhibitors ERBB2, MKI67, CDK2 NOTUM 4096/4885ALDH1A1 2360/4885TSHR 1741/4885

“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.