SCHEMBL2816649

SCHEMBL2816649

Clc1ccc(CCNc2nc3c4c(n2)N(Cc2ccccc2)CCC4NN3)cc1Cl

nearest known ligand 0.39

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MRGPRX1 Q96LB2 1/20 0.38
ITGAL P20701 1/20 0.36
SIGMAR1 Q99720 10/20 0.36
MAPT P10636 2/20 0.36
HTT P42858 1/20 0.36
CETP P11597 1/20 0.35
LIPG Q9Y5X9 1/20 0.35
ESR1 P03372 1/20 0.34
ESR2 Q92731 1/20 0.34

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
SCHEMBL2812918 0.90 MRGPRX1 (0.38) MRGPRX1SIGMAR1MAPTHTTCETP
SCHEMBL2810531 0.90 MRGPRX1 (0.48) MRGPRX1CETPESR1ESR2
SCHEMBL2808425 0.88 MRGPRX1 (0.39) MRGPRX1SIGMAR1CETPESR1ESR2
SCHEMBL2811035 0.88 ACHE (0.37) MRGPRX1MAPTESR2
SCHEMBL538194 0.88 KMT2A (0.37) MRGPRX1SIGMAR1MAPTCETPESR1
SCHEMBL2812082 0.88 GPR84 (0.35) MRGPRX1SIGMAR1MAPT
SCHEMBL2813871 0.87 MRGPRX1 (0.39) MRGPRX1MAPTCETPESR1ESR2
SCHEMBL2816668 0.87 MRGPRX1 (0.39) MRGPRX1SIGMAR1MAPTCETPESR1
SCHEMBL2814269 0.87 RXFP1 (0.36) MRGPRX1SIGMAR1CETPESR1ESR2
SCHEMBL2811115 0.85 MAPT (0.40) SIGMAR1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8343983-B2 Substituted pyrazolo-pyrimidine compounds ARQULE, INC. (US) 2013-01-01 US disclosed
US-20100249110-A1 SUBSTITUTED PYRAZOLO-PYRIMIDINE COMPOUNDS ARQULE, INC. (US) 2010-09-30 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-20100249110-A1 SUBSTITUTED PYRAZOLO-PYRIMIDINE COMPOUNDS DPYD, TYMP, TP53 MRGPRX1 2755/4885ITGAL 4742/4885SIGMAR1 4535/4885

“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.