SCHEMBL12534872

SCHEMBL12534872

[C-]#[N+]CC1CCN(c2nc(C)nc3c2c(C)cn3-c2c(Cl)cc(C(F)(F)F)cc2Cl)CC1

nearest known ligand 0.33

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.33
POLB P06746 2/20 0.33
LMNA P02545 1/20 0.33
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
RORC P51449 3/20 0.32
GABRA2 P47869 2/20 0.31
GABRB2 P47870 2/20 0.31
CHRM4 P08173 1/20 0.31
CXCR3 P49682 1/20 0.31
SCD O00767 1/20 0.31
KDM4E B2RXH2 2/20 0.31
ALDH1A1 P00352 2/20 0.31
METAP1 P53582 1/20 0.31
CHRM5 P08912 1/20 0.31
CHRM1 P11229 1/20 0.31
CHRM3 P20309 1/20 0.31
GAA P10253 1/20 0.31
MAPT P10636 1/20 0.31

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
SCHEMBL12534795 0.88 MAP2K7 (0.32) SMN1; SMN2
SCHEMBL1638423 0.88 MAP2K7 (0.41) SMN1; SMN2POLBLMNAMEN1KMT2A
SCHEMBL1637938 0.86 JAK2 (0.36) SMN1; SMN2POLBLMNAMEN1KMT2A
SCHEMBL12534808 0.85 CRHR1 (0.35) SMN1; SMN2LMNAALDH1A1
SCHEMBL12534850 0.83 MAP2K7 (0.32)
SCHEMBL12534780 0.81 CRHR1 (0.35)
SCHEMBL12534792 0.81 MAP2K7 (0.32)
SCHEMBL12534803 0.80 ENPP1 (0.36)
SCHEMBL12534784 0.78 MAP2K7 (0.31)
SCHEMBL12534800 0.78 CRHR1 (0.36)

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-8455511-B2 Pyrrolopyridine derivatives substituted with cyclic amino group TAISHO PHARMACEUTICAL CO., LTD. (JP) 2013-06-04 US disclosed
US-20110130364-A1 PYRROLOPYRIDINE DERIVATIVES SUBSTITUTED WITH CYCLIC AMINO GROUP TAISHO PHARMACEUTICAL CO., LTD. (JP) 2011-06-02 US disclosed
US-7932259-B2 Pyrrolo[2,3-d]pyrimidine derivatives substituted with a cyclic amino group TAISHO PHARMACEUTICAL CO., LTD. (JP) 2011-04-26 US disclosed
US-20080287397-A1 Pyrrolopyrimidine Derivatives Substituted with Cyclic Amino Group TASHO PHARMACEUTICAL CO., LTD. (JP) 2008-11-20 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 (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-20080287397-A1 Pyrrolopyrimidine Derivatives Substituted with Cyclic Amino Group HRH2, HRH4, CRHR1 SMN1; SMN2 3792/4885POLB 1884/4885LMNA 4857/4885
US-20110130364-A1 PYRROLOPYRIDINE DERIVATIVES SUBSTITUTED WITH CYCLIC AMINO GROUP HRH2, HRH4, CRHR1 SMN1; SMN2 3792/4885POLB 1924/4885LMNA 4838/4885

“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.