SCHEMBL1801427

SCHEMBL1801427

CC1CNC(C(=O)O)c2[nH]c3ccccc3c21

nearest known ligand 0.66

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPKAPK2 P49137 10/20 0.66
KDM4E B2RXH2 4/20 0.43
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
MAPT P10636 2/20 0.41
ALDH1A1 P00352 1/20 0.41
HPGD P15428 1/20 0.41
TSHR P16473 2/20 0.41
CYP2D6 P10635 1/20 0.41
MAPK1 P28482 1/20 0.41
MAPKAPK5 Q8IW41 1/20 0.40
HTT P42858 1/20 0.39
HSD17B10 Q99714 1/20 0.39
LMNA P02545 1/20 0.39

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
SCHEMBL11250944 0.84 MAPKAPK2 (0.57) MAPKAPK2KDM4EMEN1KMT2AMAPT
SCHEMBL272916 0.82 KDM4E (0.55) MAPKAPK2KDM4EMEN1KMT2AMAPT
SCHEMBL4260085 0.80 MAPKAPK2 (1.00) MAPKAPK2KDM4EMAPTALDH1A1MAPKAPK5
Hydrochloric Acid SCHEMBL19139018 0.74 MAPKAPK2 (0.45) MAPKAPK2KDM4EMEN1KMT2AMAPT
SCHEMBL28482427 0.71 MAPKAPK2 (0.58) MAPKAPK2KDM4EMEN1KMT2AMAPT
SCHEMBL21465236 0.71 MAPKAPK2 (1.00) MAPKAPK2CYP2D6MAPKAPK5
SCHEMBL1491320 0.71 MAPKAPK2 (1.00) MAPKAPK2CYP2D6MAPKAPK5
SCHEMBL12395388 0.71 MAPKAPK2 (1.00) MAPKAPK2CYP2D6MAPKAPK5
SCHEMBL3359636 0.71 MAPKAPK2 (0.49) MAPKAPK2KDM4EMEN1KMT2AMAPT
Hydrochloric Acid SCHEMBL10406908 0.70 MAPKAPK2 (0.97) MAPKAPK2CYP2D6MAPKAPK5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7951801-B2 For therapy of inflammatory disease and cancer MILLENNIUM PHARMACEUTICALS, INC. (US) 2011-05-31 US disclosed
EP-2206713-A1 Beta-carbolines useful for treating inflammatory disease Millennium Pharmaceuticals, Inc. (US) 2010-07-14 EP disclosed
US-7727985-B2 Beta-carbolines useful for treating inflammatory disease MILLENNIUM PHARMACEUTICALS, INC. (US) 2010-06-01 US disclosed
US-20100093713-A1 BETA-CARBOLINES USEFUL FOR TREATING INFLAMMATORY DISEASE MILLENNIUM PHARMACEUTICALS, INC. (US) 2010-04-15 US disclosed
EP-1735311-B1 BETA-CARBOLINES USEFUL FOR TREATING INFLAMMATORY DISEASE MILLENNIUM PHARM INC (US) 2010-03-31 EP disclosed
EP-1735311-A1 BETA-CARBOLINES USEFUL FOR TREATING INFLAMMATORY DISEASE MILLENNIUM PHARMACEUTICALS, INC. (US) 2006-12-27 EP disclosed
EP-1611134-A1 BETA-CARBOLINES USEFUL FOR TREATING INFLAMMATORY DISEASE MILLENNIUM PHARMACEUTICALS, INC. (US) 2006-01-04 EP disclosed
WO-2005111037-A1 BETA-CARBOLINES USEFUL FOR TREATING INFLAMMATORY DISEASE MILLENNIUM PHARMACEUTICALS, INC. (US) 2005-11-24 WO disclosed
US-20050239781-A1 Beta-carbolines useful for treating inflammatory disease MILLENNIUM PHARMACEUTICALS, INC. 2005-10-27 US disclosed
US-20040235839-A1 Beta-carbolines useful for treating inflammatory disease MILLENNIUM PHARMACEUTICALS, INC. 2004-11-25 US disclosed
WO-2004092167-A1 BETA-CARBOLINES USEFUL FOR TREATING INFLAMMATORY DISEASE MILLENNIUM PHARMACEUTICALS, INC. (US) 2004-10-28 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 (3 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-20050239781-A1 Beta-carbolines useful for treating inflammatory disease IL1B, IL1A, ADRA2B MAPKAPK2 4386/4885KDM4E 2506/4885MEN1 1021/4885
US-20040235839-A1 Beta-carbolines useful for treating inflammatory disease NFKBIA, IRAK2, IRAK1 MAPKAPK2 179/4885KDM4E 2530/4885MEN1 3210/4885
US-20100093713-A1 BETA-CARBOLINES USEFUL FOR TREATING INFLAMMATORY DISEASE NFKBIA, NFKB2, IKBKG MAPKAPK2 158/4885KDM4E 2203/4885MEN1 3687/4885

“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.