SCHEMBL214698

SCHEMBL214698

Cc1ccc(OC2CCNCC2)cc1NC(=O)c1[nH]cnc1C(=O)Nc1nc2ccccc2[nH]1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 7/20 0.46
MAPT P10636 4/20 0.46
SMN1; SMN2 Q16637 3/20 0.46
ALDH1A1 P00352 3/20 0.46
KDM4E B2RXH2 1/20 0.46
RAB9A P51151 8/20 0.43
NPC1 O15118 7/20 0.43
MEN1 O00255 6/20 0.43
GAA P10253 2/20 0.43
PKM P14618 3/20 0.42
LMNA P02545 2/20 0.42
CYP1A2 P05177 1/20 0.41
HPGD P15428 1/20 0.41
RXFP1 Q9HBX9 1/20 0.41
KLF5 Q13887 2/20 0.41
IRAK4 Q9NWZ3 1/20 0.40
KDM1A O60341 1/20 0.40
OPRK1 P41145 1/20 0.40
HSP90AB1 P08238 1/20 0.40
TOP2A P11388 1/20 0.40

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
SCHEMBL2735431 0.94 KMT2A (0.46) KMT2AMAPTSMN1; SMN2ALDH1A1KDM4E
SCHEMBL214144 0.94 KMT2A (0.46) KMT2AMAPTSMN1; SMN2ALDH1A1KDM4E
SCHEMBL213238 0.92 KMT2A (0.47) KMT2AMAPTSMN1; SMN2ALDH1A1KDM4E
SCHEMBL214471 0.90 KDM1A (0.42) KMT2AMAPTSMN1; SMN2ALDH1A1RAB9A
Hydrochloric Acid SCHEMBL213799 0.89 KDM1A (0.42) KMT2AMAPTSMN1; SMN2ALDH1A1RAB9A
SCHEMBL214824 0.88 ALDH1A1 (0.41) KMT2AMAPTSMN1; SMN2ALDH1A1KDM4E
SCHEMBL14223121 0.88 ALDH1A1 (0.41) KMT2AMAPTSMN1; SMN2ALDH1A1KDM4E
SCHEMBL216261 0.88 ALDH1A1 (0.41) KMT2AMAPTSMN1; SMN2ALDH1A1KDM4E
SCHEMBL2735449 0.88 ALDH1A1 (0.41) KMT2AMAPTSMN1; SMN2ALDH1A1KDM4E
Hydrochloric Acid SCHEMBL213801 0.88 ALDH1A1 (0.40) KMT2AMAPTSMN1; SMN2ALDH1A1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8088767-B2 JAK-2 modulators and methods of use EXELIXIS, INC. (US) 2012-01-03 US claimed
US-20100136136-A1 JAK-2 Modulators and Methods of Use EXELIXIS, INC. (US) 2010-06-03 US claimed
US-8088767-B2 JAK-2 modulators and methods of use EXELIXIS, INC. (US) 2012-01-03 US disclosed
US-8088767-B2 JAK-2 modulators and methods of use EXELIXIS, INC. (US) 2012-01-03 US disclosed
US-8088767-B2 JAK-2 modulators and methods of use EXELIXIS, INC. (US) 2012-01-03 US disclosed
US-20100136136-A1 JAK-2 Modulators and Methods of Use EXELIXIS, INC. (US) 2010-06-03 US disclosed
US-20100136136-A1 JAK-2 Modulators and Methods of Use EXELIXIS, INC. (US) 2010-06-03 US disclosed
US-20100136136-A1 JAK-2 Modulators and Methods of Use EXELIXIS, INC. (US) 2010-06-03 US disclosed
WO-2008042282-A2 IMIDAZOLE-4, 5-DICARBOXAMIDE DERIVATIVES AS JAK-2 MODULATORS EXELIXIS, INC. (US) 2008-04-10 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 (1 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-20100136136-A1 JAK-2 Modulators and Methods of Use JAK2, JAK1, JAK3 KMT2A 437/4885MAPT 2138/4885SMN1; SMN2 2516/4885

“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.