SCHEMBL675382

SCHEMBL675382

O=S(=O)(c1ccccc1)n1c2ccc(Br)cc2c2c(Cl)ccnc21

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 3/20 0.43
KRAS P01116 1/20 0.41
ENPP3 O14638 1/20 0.38
ENPP1 P22413 1/20 0.38
PKM P14618 2/20 0.38
RXFP1 Q9HBX9 1/20 0.38
SRC P12931 1/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37
GAA P10253 1/20 0.37
HTT P42858 1/20 0.37
ACLY P53396 3/20 0.36
PTGDR2 Q9Y5Y4 1/20 0.36
LMNA P02545 1/20 0.36
CYP2C19 P33261 1/20 0.35
DYRK1A Q13627 1/20 0.35
MEN1 O00255 1/20 0.34
MAPT P10636 1/20 0.34
KMT2A Q03164 1/20 0.34

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
SCHEMBL3662668 0.86 HTR6 (0.42) HTR6ENPP3ENPP1PKMSRC
SCHEMBL678731 0.83 IP6K1 (0.38) HTR6ENPP3ENPP1PKMSRC
SCHEMBL675465 0.83 IP6K1 (0.38) HTR6ENPP3ENPP1PKMSRC
SCHEMBL676525 0.83 GRM4 (0.39) ENPP3ENPP1PKMSRCSMN1; SMN2
SCHEMBL675896 0.82 SRC (0.40) HTR6ENPP3ENPP1PKMSRC
SCHEMBL675512 0.81 PTGDR2 (0.48) HTR6PKMRXFP1SRCALDH1A1
SCHEMBL675466 0.81 ENPP3 (0.38) HTR6ENPP3ENPP1PKMSRC
SCHEMBL3664606 0.80 ALDH1A1 (0.37) ENPP3ENPP1PKMSRCSMN1; SMN2
SCHEMBL677032 0.79 HTR6 (0.42) HTR6KDM4EALDH1A1PTGDR2MAPT
SCHEMBL675276 0.79 HTR6 (0.43) HTR6SRCKDM4EALDH1A1HTT

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 21 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8895744-B2 Alfa-carboline inhibitors of NPM-ALK, RET, and Bcr-Abl UNIVERSITA' DEGLI STUDI DI MILANO-BICOCCA (IT) 2014-11-25 US claimed
US-20110281862-A1 ALFA-CARBOLINE INHIBITORS OF NPM-ALK, RET, AND BCR-ABL UNIVERSITA' DEGLI STUDI DI MILANO - BICOCCA (IT) 2011-11-17 US claimed
EP-3885348-A1 NOVEL TRICYCLIC COMPOUND AS IRAK4 INHIBITOR Korea Research Institute of Chemical Technology (KR) 2021-09-29 EP disclosed
EP-2855475-B1 ALPHA-CARBOLINES FOR THE TREATMENT OF CANCER UNIVERSITÀ DEGLI STUDI DI MILANO - BICOCCA (IT) 2017-06-28 EP disclosed
EP-2855475-B1 ALPHA-CARBOLINES FOR THE TREATMENT OF CANCER UNIVERSITÀ DEGLI STUDI DI MILANO - BICOCCA (IT) 2017-06-28 EP disclosed
US-9428500-B2 Alpha-carbolines for the treatment of cancer UNIVERSITA DEGLI STUDI DI MILANO—BICOCCA (IT) 2016-08-30 US disclosed
US-9428500-B2 Alpha-carbolines for the treatment of cancer UNIVERSITA DEGLI STUDI DI MILANO—BICOCCA (IT) 2016-08-30 US disclosed
US-20150105554-A1 ALPHA-CARBOLINES FOR THE TREATMENT OF CANCER UNIVERSITE DE GENEVE (CH) 2015-04-16 US disclosed
US-20150105554-A1 ALPHA-CARBOLINES FOR THE TREATMENT OF CANCER UNIVERSITE DE GENEVE (CH) 2015-04-16 US disclosed
EP-2855475-A1 ALPHA-CARBOLINES FOR THE TREATMENT OF CANCER Università Degli Studi Di Milano - Bicocca (IT) 2015-04-08 EP disclosed
US-8895744-B2 Alfa-carboline inhibitors of NPM-ALK, RET, and Bcr-Abl UNIVERSITA' DEGLI STUDI DI MILANO-BICOCCA (IT) 2014-11-25 US disclosed
US-8895744-B2 Alfa-carboline inhibitors of NPM-ALK, RET, and Bcr-Abl UNIVERSITA' DEGLI STUDI DI MILANO-BICOCCA (IT) 2014-11-25 US disclosed
WO-2013167730-A1 ALPHA-CARBOLINES FOR THE TREATMENT OF CANCER UNIVERSITA' DEGLI STUDI DI MILANO - BICOCCA (IT) 2013-11-14 WO disclosed
WO-2013167730-A1 ALPHA-CARBOLINES FOR THE TREATMENT OF CANCER UNIVERSITA' DEGLI STUDI DI MILANO - BICOCCA (IT) 2013-11-14 WO disclosed
EP-2662372-A1 Alpha-carbolines for the treatment of cancer Università Degli Studi Di Milano - Bicocca (IT) 2013-11-13 EP disclosed
EP-2662372-A1 Alpha-carbolines for the treatment of cancer Università Degli Studi Di Milano - Bicocca (IT) 2013-11-13 EP disclosed
US-20110281862-A1 ALFA-CARBOLINE INHIBITORS OF NPM-ALK, RET, AND BCR-ABL UNIVERSITA' DEGLI STUDI DI MILANO - BICOCCA (IT) 2011-11-17 US disclosed
US-20110281862-A1 ALFA-CARBOLINE INHIBITORS OF NPM-ALK, RET, AND BCR-ABL UNIVERSITA' DEGLI STUDI DI MILANO - BICOCCA (IT) 2011-11-17 US disclosed
US-20110281862-A1 ALFA-CARBOLINE INHIBITORS OF NPM-ALK, RET, AND BCR-ABL UNIVERSITA' DEGLI STUDI DI MILANO - BICOCCA (IT) 2011-11-17 US disclosed
EP-2161271-A1 Alpha-carboline inhibitors of NMP-ALK, RET, and Bcr-Abl Università Degli Studi Di Milano - Bicocca (IT) 2010-03-10 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-20150105554-A1 ALPHA-CARBOLINES FOR THE TREATMENT OF CANCER ALK, CSNK1A1, BRAF HTR6 3864/4885KRAS 13/4885ENPP3 4062/4885
US-20110281862-A1 ALFA-CARBOLINE INHIBITORS OF NPM-ALK, RET, AND BCR-ABL ALK, BCR, NPM1 HTR6 4762/4885KRAS 26/4885ENPP3 4850/4885

“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.