SCHEMBL1899427

SCHEMBL1899427

Clc1ccc(CCNc2ncnc3[nH]ccc23)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TTBK1 Q5TCY1 6/20 1.00
TTBK2 Q6IQ55 6/20 1.00
HTT P42858 4/20 0.61
MEN1 O00255 1/20 0.59
LMNA P02545 1/20 0.59
TSHR P16473 1/20 0.59
KMT2A Q03164 1/20 0.59
SMN1; SMN2 Q16637 1/20 0.59
HSD17B10 Q99714 1/20 0.59
L3MBTL1 Q9Y468 1/20 0.59
NR2F2 P24468 1/20 0.53
BTK Q06187 1/20 0.53
CNR1 P21554 2/20 0.51
CNR2 P34972 2/20 0.51
HDAC6 Q9UBN7 1/20 0.49
RAB9A P51151 1/20 0.48
GALR3 O60755 1/20 0.48
SLC29A1 Q99808 1/20 0.48
TP53 P04637 1/20 0.46
JAK2 O60674 1/20 0.46

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
SCHEMBL4741877 0.86 TTBK1 (0.76) TTBK1TTBK2HTTMEN1LMNA
SCHEMBL8505023 0.86 TTBK1 (0.75) TTBK1TTBK2HTTLMNATSHR
SCHEMBL23202913 0.82 TTBK1 (0.69) TTBK1TTBK2HTTLMNASMN1; SMN2
SCHEMBL23202860 0.81 TTBK1 (0.67) TTBK1TTBK2HTTLMNABTK
SCHEMBL23202949 0.79 TTBK1 (0.65) TTBK1TTBK2HTTLMNABTK
SCHEMBL31651184 0.79 TTBK1 (0.65) TTBK1TTBK2HTTLMNABTK
SCHEMBL23409027 0.77 TTBK1 (0.62) TTBK1TTBK2BTKHDAC6
SCHEMBL29665587 0.77 TTBK1 (0.62) TTBK1TTBK2BTKHDAC6
SCHEMBL30485458 0.77 TTBK1 (0.62) TTBK1TTBK2BTKHDAC6
SCHEMBL28451436 0.77 TTBK1 (0.62) TTBK1TTBK2BTKHDAC6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102186479-A Aminopyrimidine inhibitors of histamine receptors for the treatment of disease KALYPSYS INC 2011-09-14 CN disclosed
EP-2320904-A2 AMINOPYRIMIDINE INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE Kalypsys, Inc. (US) 2011-05-18 EP disclosed
WO-2010030757-A2 AMINOPYRIMIDINE INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE KALYPSYS INC. (US) 2010-03-18 WO disclosed
US-20100063047-A1 AMINOPYRIMIDINE INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE KALYPSYS, INC. (US) 2010-03-11 US disclosed
US-20100063047-A1 AMINOPYRIMIDINE INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE KALYPSYS, INC. (US) 2010-03-11 US disclosed
US-20100063047-A1 AMINOPYRIMIDINE INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE KALYPSYS, INC. (US) 2010-03-11 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-20100063047-A1 AMINOPYRIMIDINE INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE HRH4, HRH2, HRH3 TTBK1 2414/4885TTBK2 2307/4885HTT 383/4885

“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.