SCHEMBL6690632

SCHEMBL6690632

O=C(NCCCl)Nc1cccc(Br)c1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 1/20 0.64
ERBB2 P04626 1/20 0.64
CNR1 P21554 1/20 0.56
MAPT P10636 5/20 0.55
GOT1 P17174 1/20 0.55
GAA P10253 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.50
TGM2 P21980 1/20 0.50
THRB P10828 1/20 0.50
GRIK1 P39086 2/20 0.49
EPHX1 P07099 3/20 0.49
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
GRIK2 Q13002 1/20 0.49
LMNA P02545 1/20 0.49
CYP1A2 P05177 1/20 0.49
CYP3A4 P08684 1/20 0.49
CYP2D6 P10635 1/20 0.49
CYP2C9 P11712 1/20 0.49
CYP2C19 P33261 1/20 0.49

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
SCHEMBL21805651 0.91 EGFR (0.58) EGFRERBB2CNR1MAPTGOT1
SCHEMBL29128711 0.84 GAA (0.58) EGFRERBB2MAPTGAASMN1; SMN2
SCHEMBL30797219 0.83 MEN1 (0.69) EGFRERBB2MAPTSMN1; SMN2EPHX1
SCHEMBL6687855 0.83 MEN1 (0.69) EGFRERBB2MAPTSMN1; SMN2EPHX1
SCHEMBL6688583 0.83 MARS1 (0.60) EGFRERBB2CNR1MAPTSMN1; SMN2
SCHEMBL6690983 0.81 MAPT (0.50) EGFRERBB2MAPTSMN1; SMN2GRIK1
SCHEMBL6690864 0.81 MAPT (0.75) MAPTSMN1; SMN2EPHX1KMT2ALMNA
SCHEMBL3781565 0.81 ALDH1A1 (0.67) EGFRERBB2CNR1MAPTSMN1; SMN2
SCHEMBL5054174 0.81 MARS1 (0.61) CNR1MAPTSMN1; SMN2MEN1KMT2A
SCHEMBL19707566 0.81 GAA (0.65) MAPTGAATGM2GRIK1MEN1

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
US-12208088-B2 Spirocyclic 2,3-dihydro-7-azaindole compounds and uses thereof GENENTECH, INC. (US) 2025-01-28 US disclosed
US-20220370420-A1 SPIROCYCLIC 2,3-DIHYDRO-7-AZAINDOLE COMPOUNDS AND USES THEREOF GENENTECH, INC. (US) 2022-11-24 US disclosed
EP-3852752-A1 SPIROCYCLIC 2,3-DIHYDRO-7-AZAINDOLE COMPOUNDS AND USES THEREOF F. Hoffmann-La Roche AG (CH) 2021-07-28 EP disclosed
CN-113015526-A Spirocyclic 2, 3-dihydro-7-azaindole compounds and uses thereof 豪夫迈·罗氏有限公司 2021-06-22 CN disclosed
WO-2020061377-A1 SPIROCYCLIC 2,3-DIHYDRO-7-AZAINDOLE COMPOUNDS AND USES THEREOF GENENTECH, INC. (US) 2020-03-26 WO disclosed
WO-2020061377-A1 SPIROCYCLIC 2,3-DIHYDRO-7-AZAINDOLE COMPOUNDS AND USES THEREOF GENENTECH, INC. (US) 2020-03-26 WO disclosed
WO-2004106292-A1 HALOETHYL UREA COMPOUNDS AND THEIR USE TO ATTENUATE, INHIBIT OR PREVENT NON-CANCEROUS PATHOGENIC CELLULAR PROLIFERATION AND DISEASES ASSOCIATED THEREWITH IMOTEP INC. (CA) 2004-12-09 WO disclosed
WO-2004106291-A1 HALOETHYL UREA COMPOUNDS AND THE USE THEREOF TO ATTENUATE, INHIBIT OR PREVENT CANCER CELL MIGRATION IMOTEP INC. (CA) 2004-12-09 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-12208088-B2 Spirocyclic 2,3-dihydro-7-azaindole compounds and uses thereof HIPK1, NEK1, HIPK2 EGFR 4781/4885ERBB2 3176/4885CNR1 3392/4885
US-20220370420-A1 SPIROCYCLIC 2,3-DIHYDRO-7-AZAINDOLE COMPOUNDS AND USES THEREOF HIPK1, NEK1, HIPK2 EGFR 4781/4885ERBB2 3176/4885CNR1 3392/4885

“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.