SCHEMBL1998929

SCHEMBL1998929

O=CNc1cnnc2ccccc12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PABPC1 P11940 1/20 0.41
GPR3 P46089 1/20 0.40
TGFBR1 P36897 1/20 0.38
ALDH1A1 P00352 2/20 0.36
TSHR P16473 1/20 0.35
ERN1 O75460 1/20 0.34
TLR8 Q9NR97 2/20 0.34
TLR7 Q9NYK1 1/20 0.34
PTPN1 P18031 1/20 0.33
PTPN11 Q06124 1/20 0.33
HDAC3 O15379 1/20 0.33
HDAC1 Q13547 1/20 0.33
KDM4E B2RXH2 2/20 0.33
TP53 P04637 2/20 0.33
CYP3A4 P08684 2/20 0.33
GOT1 P17174 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
HTR1A P08908 1/20 0.33
ADRA1D P25100 1/20 0.33
ADRA1A P35348 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
SCHEMBL20265361 0.76 ALDH1A1 (0.47) GPR3TGFBR1ALDH1A1HDAC3HDAC1
SCHEMBL18879049 0.76 GPR3 (0.44) GPR3TGFBR1ALDH1A1KDM4ETP53
SCHEMBL1998924 0.75 GPR3 (0.40) GPR3TGFBR1ALDH1A1PTPN1PTPN11
SCHEMBL1116308 0.73 KDM1A (0.48) GPR3ALDH1A1TSHRKDM4ETP53
SCHEMBL2002464 0.73 HTR1A (0.58) PABPC1PTPN1PTPN11HDAC3HDAC1
SCHEMBL13134233 0.72 PTPN1 (0.62) PTPN1PTPN11HDAC3HDAC1LMNA
SCHEMBL2009244 0.72 GPR3 (0.44) GPR3TGFBR1ALDH1A1TSHRERN1
SCHEMBL19841858 0.71 IDO1 (0.43) GPR3TGFBR1ALDH1A1TLR7KDM4E
SCHEMBL28100413 0.70 SLC2A1 (0.46) PABPC1ALDH1A1TSHRERN1TLR8
SCHEMBL11537315 0.69 PABPC1 (0.64) PABPC1ALDH1A1TSHRKDM4EMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120149703-A1 AZA-SUBSTITUTED SPIRO DERIVATIVES JITSUOKA MAKOTO (JP) 2012-06-14 US disclosed
US-8158791-B2 Aza-substituted spiro derivatives MSD K.K. (JP) 2012-04-17 US disclosed
US-7960394-B2 3,8-dimethyl-2-[4-(3-piperidin-1-ylpropoxy)phenyl]-4(3H)-quinazolinone; 6-chloro-3-methyl-2-[4-(3-piperidin-1-ylpropoxy)phenyl]pyrido[3,4-d]-pyrimidin-4(3H)-one; 2-[4-(1-cyclopentyl-4-piperidinyloxy)phenyl]-3-methylpyrido[2,3-d]-pyrimidin-4(3H)-one; treats metabolic, nervous system, vascular disorders BANYU PHARMACEUTICAL CO., LTD. (JP) 2011-06-14 US disclosed
US-7960402-B2 Trans-5'-(2-fluoroethoxy)-3'-oxo-N-methyl-N-(2-piperidin-1-ylethyl)-spiro[cyclohexane-1,1'-(3'H)-isobenzofuran]-4-carboxamide hydrochloride; histamine H3 receptor antagonist or inverse agonist; metabolic disorders; circulatory diseases; nervous system diseases; psychological disorders; sleep disorders BANYU PHARMACEUTICAL CO., LTD. (JP) 2011-06-14 US disclosed
US-20090258871-A1 Aza-Substituted Spiro Derivatives BANYU PHARMACEUTICAL CO., LTD. (JP) 2009-10-15 US disclosed
EP-1795527-B1 CARBAMOYL-SUBSTITUTED SPIRO DERIVATIVE BANYU PHARMA CO LTD (JP) 2009-04-22 EP disclosed
US-20080275069-A1 Quinazoline Derivative MSD K.K. (JP) 2008-11-06 US disclosed
EP-1953165-A1 AZA-SUBSTITUTED SPIRO DERIVATIVE BANYU PHARMACEUTICAL CO., LTD. (JP) 2008-08-06 EP disclosed
US-20080171753-A1 Carbamoyl-Substituted Spiro Derivative MSD K.K. (JP) 2008-07-17 US disclosed
EP-1795527-A1 CARBAMOYL-SUBSTITUTED SPIRO DERIVATIVE BANYU PHARMACEUTICAL CO., LTD. (JP) 2007-06-13 EP disclosed
EP-1757594-A1 QUINAZOLINE DERIVATIVE BANYU PHARMACEUTICAL CO., LTD. (JP) 2007-02-28 EP 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 (4 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-20120149703-A1 AZA-SUBSTITUTED SPIRO DERIVATIVES AZI2, NR3C2, DNMT3A PABPC1 4355/4885GPR3 2618/4885TGFBR1 3278/4885
US-20080275069-A1 Quinazoline Derivative HRH3, HRH4, HRH2 PABPC1 4853/4885GPR3 18/4885TGFBR1 1640/4885
US-20080171753-A1 Carbamoyl-Substituted Spiro Derivative HRH3, HRH4, HRH2 PABPC1 4829/4885GPR3 151/4885TGFBR1 2003/4885
US-20090258871-A1 Aza-Substituted Spiro Derivatives AZI2, NR3C2, DNMT3A PABPC1 4355/4885GPR3 2618/4885TGFBR1 3278/4885

“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.