SCHEMBL1899302

SCHEMBL1899302

Cc1csc2nccc(Br)c12

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MRGPRX1 Q96LB2 1/20 0.38
HTT P42858 4/20 0.37
SMN1; SMN2 Q16637 3/20 0.37
RAB9A P51151 2/20 0.37
PIP4K2C Q8TBX8 2/20 0.35
LMNA P02545 4/20 0.33
GAA P10253 3/20 0.33
POLB P06746 1/20 0.33
PKM P14618 1/20 0.33
IRAK4 Q9NWZ3 1/20 0.33
LIMK1 P53667 1/20 0.32
MAPT P10636 1/20 0.32
ALOX12 P18054 1/20 0.31
ELANE P08246 1/20 0.30
HPGD P15428 1/20 0.30
ALDH1A1 P00352 1/20 0.30
RXFP1 Q9HBX9 1/20 0.30
NOD2 Q9HC29 1/20 0.30
TGFBR1 P36897 1/20 0.30

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
SCHEMBL13460085 0.82 HTT (0.42) MRGPRX1HTTSMN1; SMN2RAB9APIP4K2C
SCHEMBL1904104 0.77 MRGPRX1 (0.38) MRGPRX1HTTSMN1; SMN2RAB9APIP4K2C
SCHEMBL29807993 0.77 MRGPRX1 (0.38) MRGPRX1HTTSMN1; SMN2RAB9APIP4K2C
SCHEMBL28381075 0.77 HTT (0.40) MRGPRX1HTTSMN1; SMN2RAB9APIP4K2C
SCHEMBL25636165 0.74 MRGPRX1 (0.36) MRGPRX1HTTSMN1; SMN2RAB9APIP4K2C
SCHEMBL27023187 0.74 RAB9A (0.38) MRGPRX1HTTSMN1; SMN2RAB9APIP4K2C
SCHEMBL1905402 0.71 MRGPRX1 (0.45) MRGPRX1HTTSMN1; SMN2RAB9APIP4K2C
SCHEMBL28379926 0.71 SMN1; SMN2 (0.39) HTTSMN1; SMN2PIP4K2CLMNAIRAK4
SCHEMBL25822932 0.69 KDR (0.37) PIP4K2CIRAK4
SCHEMBL23104538 0.69 PDPK1 (0.43) PKMALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 MRGPRX1 44/4885HTT 383/4885SMN1; SMN2 4740/4885

“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.