SCHEMBL8233552

SCHEMBL8233552

CCc1ccc(-c2cscn2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
METAP2 P50579 1/20 0.44
CARM1 Q86X55 3/20 0.42
PRMT1 Q99873 3/20 0.42
RAB9A P51151 10/20 0.40
NPC1 O15118 9/20 0.40
GAA P10253 2/20 0.40
POLB P06746 1/20 0.40
ESR1 P03372 1/20 0.40
MAPT P10636 6/20 0.40
LMNA P02545 3/20 0.40
TP53 P04637 3/20 0.40
NFKB1 P19838 2/20 0.40
NFKB2 Q00653 2/20 0.40
RELA Q04206 2/20 0.40
SMN1; SMN2 Q16637 6/20 0.39
ALDH1A1 P00352 2/20 0.39
CA12 O43570 1/20 0.38
ALPL P05186 1/20 0.38
CA9 Q16790 1/20 0.38
MEN1 O00255 1/20 0.38

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
SCHEMBL15384471 0.85 SMN1; SMN2 (0.42) CARM1PRMT1RAB9ANPC1ESR1
SCHEMBL19268046 0.81 CARM1 (0.40) METAP2CARM1PRMT1RAB9ANPC1
SCHEMBL533611 0.81 FYN (0.45) CARM1PRMT1ESR1
SCHEMBL8220811 0.81 HRH3 (0.48) CARM1PRMT1
SCHEMBL1259158 0.81 CARM1 (0.40) METAP2CARM1PRMT1RAB9ANPC1
SCHEMBL17440027 0.81 CARM1 (0.40) METAP2CARM1PRMT1RAB9ANPC1
SCHEMBL15395440 0.80 XDH (0.42) CARM1PRMT1POLBESR1MAPT
Hydrochloric Acid SCHEMBL19260900 0.79 CARM1 (0.41) METAP2CARM1PRMT1RAB9ANPC1
SCHEMBL4473468 0.79 IDO1 (0.50)
SCHEMBL14754363 0.78 CA2 (0.41) CARM1PRMT1GAAESR1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170313989-A1 INHIBITION AND ENHANCEMENT OF REPROGRAMMING BY CHROMATIN MODIFYING ENZYMES CHILDREN'S MEDICAL CENTER CORPORATION (US) 2017-11-02 US disclosed
EP-3184527-A1 2,6-DIOXO,-2,3-DIHYDRO-1H-PURINE COMPOUNDS USEFUL FOR TREATING DISORDERS RELATED TO THE ACTIVITY OF THE TRPA1 CHANNEL Hydra Biosciences, Inc. (US) 2017-06-28 EP disclosed
US-9670463-B2 Inhibition and enhancement of reprogramming by chromatin modifying enzymes CHILDREN'S MEDICAL CENTER CORPORATION (US) 2017-06-06 US disclosed
US-20170080010-A1 COMBINATION THERAPY FOR TREATING CANCER Epizyme, Inc. 2017-03-23 US disclosed
EP-2170309-B1 2,6-DIOXO,-2,3-DIHYDRO-1H-PURINE COMPOUNDS USEFUL FOR TREATING DISORDERS RELATED TO THE ACTIVITY OF THE TRPA1 CHANNEL HYDRA BIOSCIENCES INC (US) 2016-10-26 EP disclosed
US-20160251390-A1 7-DEAZAPURINE MODULATORS OF HISTONE METHYLTRANSFERASE, AND METHODS OF USE THEREOF Epizyme, Inc. 2016-09-01 US disclosed
US-20150366893-A1 SUBSTITUTED PURINE AND 7-DEAZAPURINE COMPOUNDS Epizyme, Inc. (US) 2015-12-24 US disclosed
US-9029343-B2 Modulators of histone methyltransferase, and methods of use thereof Epizyme, Inc. (US) 2015-05-12 US disclosed
US-20140242046-A1 INHIBITION AND ENHANCEMENT OF REPROGRAMMING BY CHROMATIN MODIFYING ENZYMES Childern's Medical Center Corporation (US) 2014-08-28 US disclosed
US-20140194349-A1 HIV Protease Inhibiting Compounds ABBVIE INC. (US) 2014-07-10 US disclosed
US-7834043-B2 Prevent reproduct of aids virus ABBOTT LABORATORIES (US) 2010-11-16 US disclosed
US-20100249181-A1 HIV Protease Inhibiting Compounds ABBOTT LABORATORIES (US) 2010-09-30 US disclosed
US-20050148623-A1 Prevent reproduct of aids virus ABBVIE INC. 2005-07-07 US 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 (6 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-20050148623-A1 Prevent reproduct of aids virus SERPINB1, PRSS1, SERPINA3 METAP2 281/4885CARM1 2978/4885PRMT1 1591/4885
US-20160251390-A1 7-DEAZAPURINE MODULATORS OF HISTONE METHYLTRANSFERASE, AND METHODS OF USE THEREOF TPMT, HNMT, EHMT1 METAP2 487/4885CARM1 10/4885PRMT1 91/4885
US-20170080010-A1 COMBINATION THERAPY FOR TREATING CANCER DOT1L, ASH1L, CARM1 METAP2 1480/4885CARM1 3/4885PRMT1 33/4885
US-20100249181-A1 HIV Protease Inhibiting Compounds SERPINB1, HPN, DNPEP METAP2 126/4885CARM1 3915/4885PRMT1 1824/4885
US-20150366893-A1 SUBSTITUTED PURINE AND 7-DEAZAPURINE COMPOUNDS TPMT, DIMT1, DAZAP1 METAP2 851/4885CARM1 42/4885PRMT1 18/4885
US-20140194349-A1 HIV Protease Inhibiting Compounds SERPINB1, HPN, DNPEP METAP2 126/4885CARM1 3915/4885PRMT1 1824/4885

“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.