SCHEMBL1017284

SCHEMBL1017284

Clc1nc(N2CCCC2)c2cc[nH]c2n1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK3 P52333 3/20 0.58
HRH4 Q9H3N8 2/20 0.53
PIK3CA P42336 2/20 0.52
PIK3R1 P27986 1/20 0.52
HTR2C P28335 1/20 0.44
METTL3 Q86U44 1/20 0.44
ALDH1A1 P00352 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
PAK4 O96013 2/20 0.43
AKT2 P31751 2/20 0.42
GSK3B P49841 2/20 0.42
KIT P10721 1/20 0.42
RPS6KB1 P23443 1/20 0.42
DOT1L Q8TEK3 1/20 0.42
ROCK2 O75116 1/20 0.41
ROCK1 Q13464 1/20 0.41
MTOR P42345 1/20 0.41
HTR6 P50406 1/20 0.41
LCK P06239 1/20 0.41
JAK2 O60674 1/20 0.41

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
SCHEMBL1018704 0.98 JAK3 (0.59) JAK3HRH4PIK3CAPIK3R1HTR2C
SCHEMBL3130856 0.86 PIK3CA (0.72) JAK3HRH4PIK3CAPIK3R1METTL3
SCHEMBL9216879 0.82 PIK3CA (0.75) JAK3HRH4PIK3CAPIK3R1HTR2C
SCHEMBL1444374 0.81 JAK3 (0.58) JAK3HRH4PIK3CAPIK3R1HTR2C
SCHEMBL14320465 0.81 HRH4 (0.78) JAK3HRH4PIK3CAPIK3R1HTR2C
SCHEMBL2044201 0.81 JAK3 (0.58) JAK3HRH4PIK3CAPIK3R1HTR2C
SCHEMBL4908505 0.80 PLD1 (0.44) JAK3HRH4PIK3CAPIK3R1ALDH1A1
SCHEMBL4906547 0.80 ALDH1A1 (0.55) HTR2CMETTL3ALDH1A1SMN1; SMN2
SCHEMBL14320582 0.79 HRH4 (0.76) JAK3HRH4PIK3CAPIK3R1HTR2C
SCHEMBL1018334 0.79 TSHR (0.47) JAK3HRH4PIK3CAPIK3R1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2017123766-A1 COMPOUNDS AND COMPOSITIONS FOR THE TREATMENT OF DISEASE SPEROVIE BIOSCIENCES, INC. (US) 2017-07-20 WO disclosed
US-9139581-B2 Inhibitors of protein kinases PORTOLA PHARMACEUTICALS, INC. (US) 2015-09-22 US disclosed
US-9139581-B2 Inhibitors of protein kinases PORTOLA PHARMACEUTICALS, INC. (US) 2015-09-22 US disclosed
US-9139581-B2 Inhibitors of protein kinases PORTOLA PHARMACEUTICALS, INC. (US) 2015-09-22 US disclosed
US-20130029944-A1 INHIBITORS OF PROTEIN KINASES PORTOLA PHARMACEUTICALS, INC. (US) 2013-01-31 US disclosed
US-20130029944-A1 INHIBITORS OF PROTEIN KINASES PORTOLA PHARMACEUTICALS, INC. (US) 2013-01-31 US disclosed
US-20130029944-A1 INHIBITORS OF PROTEIN KINASES PORTOLA PHARMACEUTICALS, INC. (US) 2013-01-31 US disclosed
US-8258144-B2 Inhibitors of protein kinases PORTOLA PHARMACEUTICALS, INC. (US) 2012-09-04 US disclosed
US-8258144-B2 Inhibitors of protein kinases PORTOLA PHARMACEUTICALS, INC. (US) 2012-09-04 US disclosed
US-8258144-B2 Inhibitors of protein kinases PORTOLA PHARMACEUTICALS, INC. (US) 2012-09-04 US disclosed
EP-2271631-A2 INHIBITORS OF PROTEIN KINASES Portola Pharmaceuticals, Inc. (US) 2011-01-12 EP disclosed
US-20090298823-A1 Inhibitors of protein kinases PORTOLA PHARMACEUTICALS, INC. (US) 2009-12-03 US disclosed
US-20090298823-A1 Inhibitors of protein kinases PORTOLA PHARMACEUTICALS, INC. (US) 2009-12-03 US disclosed
US-20090298823-A1 Inhibitors of protein kinases PORTOLA PHARMACEUTICALS, INC. (US) 2009-12-03 US disclosed
WO-2009131687-A2 INHIBITORS OF PROTEIN KINASES PORTOLA PHARMACEUTICALS, INC. (US) 2009-10-29 WO disclosed
WO-2009131687-A2 INHIBITORS OF PROTEIN KINASES PORTOLA PHARMACEUTICALS, INC. (US) 2009-10-29 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-20130029944-A1 INHIBITORS OF PROTEIN KINASES SYK, BTK, JAK2 JAK3 6/4885HRH4 2799/4885PIK3CA 36/4885
US-20090298823-A1 Inhibitors of protein kinases SYK, BTK, JAK2 JAK3 6/4885HRH4 2799/4885PIK3CA 36/4885

“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.