SCHEMBL17229265

SCHEMBL17229265

CC(C)Cc1ccc(N(C)C2CCCC2)nc1

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.43
LMNA P02545 1/20 0.43
ACACB O00763 3/20 0.41
JAK3 P52333 8/20 0.40
LCK P06239 2/20 0.40
HRH4 Q9H3N8 1/20 0.36
HRH3 Q9Y5N1 1/20 0.36
JAK1 P23458 5/20 0.36
CACNA1H O95180 1/20 0.36
JAK2 O60674 2/20 0.35
RORC P51449 1/20 0.35
ABL1 P00519 1/20 0.34
MITF O75030 1/20 0.33
ALDH1A1 P00352 1/20 0.33
PKM P14618 1/20 0.33

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
SCHEMBL17232494 0.83 LMNA (0.45) SMN1; SMN2LMNAJAK3LCKHRH4
SCHEMBL17229255 0.82 ELOVL1 (0.46) SMN1; SMN2LMNAACACBJAK3JAK1
SCHEMBL17229322 0.82 SLC6A2 (0.40)
SCHEMBL19068790 0.82 SMN1; SMN2 (0.44) SMN1; SMN2LMNAACACBJAK3LCK
SCHEMBL17254177 0.81 HTR2A (0.42) JAK3JAK1JAK2ALDH1A1
SCHEMBL8245690 0.77 KCNH2 (0.38) LMNA
SCHEMBL14349198 0.76 LMNA (0.47) SMN1; SMN2LMNAJAK3LCKJAK1
SCHEMBL24198823 0.74 PDE10A (0.36) ALDH1A1
SCHEMBL31217324 0.73 JAK1 (0.47) SMN1; SMN2LMNAJAK3LCKJAK1
SCHEMBL31217199 0.72 SMN1; SMN2 (0.49) SMN1; SMN2LMNAJAK3LCKJAK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9695166-B2 Pyrazolopyridine pyrazolopyrimidine and related compounds GLOBAL BLOOD THERAPEUTICS, INC. (US) 2017-07-04 US disclosed
US-9695166-B2 Pyrazolopyridine pyrazolopyrimidine and related compounds GLOBAL BLOOD THERAPEUTICS, INC. (US) 2017-07-04 US disclosed
WO-2015171527-A1 PYRAZOLOPYRIDINE PYRAZOLOPYRIMIDINE AND RELATED COMPOUNDS GLOBAL BLOOD THERAPEUTICS, INC. (US) 2015-11-12 WO disclosed
US-20150315198-A1 PYRAZOLOPYRIDINE PYRAZOLOPYRIMIDINE AND RELATED COMPOUNDS GLOBAL BLOOD THERAPEUTICS, INC. (US) 2015-11-05 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 (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-20150315198-A1 PYRAZOLOPYRIDINE PYRAZOLOPYRIMIDINE AND RELATED COMPOUNDS TPMT, DPYD, XDH SMN1; SMN2 1408/4885LMNA 3428/4885ACACB 3142/4885

“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.