SCHEMBL6299458

SCHEMBL6299458

COc1cc(C2=NN2C(F)(F)F)ccc1C(=O)Nc1cc(I)c2c(c1)CNCC2

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FLT3 P36888 2/20 0.46
MELK Q14680 2/20 0.46
CAMK2G Q13555 1/20 0.46
CAMK2D Q13557 1/20 0.46
MYLK Q15746 1/20 0.46
MKNK2 Q9HBH9 1/20 0.46
NPC1 O15118 3/20 0.36
RAB9A P51151 3/20 0.36
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
RXFP1 Q9HBX9 2/20 0.34
PDE4B Q07343 1/20 0.34
MAPT P10636 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
THRB P10828 1/20 0.34
ROCK2 O75116 2/20 0.33
KDM4E B2RXH2 2/20 0.33
PRKG1 Q13976 1/20 0.33
ALDH1A1 P00352 1/20 0.33
TSHR P16473 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
SCHEMBL6298392 0.94 FLT3 (0.40) FLT3MELKCAMK2GCAMK2DMYLK
SCHEMBL6294917 0.82 FLT3 (0.35) FLT3MELKCAMK2GCAMK2DMYLK
SCHEMBL8189145 0.78 MELK (0.46) FLT3MELKCAMK2GCAMK2DMYLK
SCHEMBL8184272 0.76 P2RX7 (0.38) RAB9AMEN1KMT2ARXFP1MAPT
SCHEMBL6299462 0.76 JAK2 (0.37) MELKRXFP1LCKMTTP
SCHEMBL6298394 0.74 APOB (0.40) MELKRXFP1MTTP
SCHEMBL5333856 0.71 MAPT (0.48) RAB9AMEN1KMT2AMAPTSMN1; SMN2
SCHEMBL8189643 0.71 MEN1 (0.39) MEN1KMT2ARXFP1MAPTSMN1; SMN2
SCHEMBL8446026 0.70 ROCK2 (0.41) FLT3MELKCAMK2GCAMK2DMYLK
SCHEMBL7801344 0.68 MELK (0.55) MELKNPC1RAB9AKMT2ASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6841560-B2 Substituted isoquinoline derivatives and their use as anticonvulsants SMITHKLINE BEECHAM P.L.C. (GB) 2005-01-11 US claimed
US-20040209912-A1 Substituted isoquinoline derivatives and their use as anticonvulsants SMITHKLINE BEECHAM P.L.C. 2004-10-21 US claimed
US-20030144320-A1 For treatment and/or prevention of anxiety, mania, depression, panic disorders, nerve sustem disorders SMITHKLINE BEECHAM P.L.C. 2003-07-31 US claimed
US-6841560-B2 Substituted isoquinoline derivatives and their use as anticonvulsants SMITHKLINE BEECHAM P.L.C. (GB) 2005-01-11 US disclosed
CN-1183116-C Substituted isoquinoline derivatives, pharmaceutical composition containing same, preparation method and application thereof ʷ��˿�������ȳ�ķ���޹�˾ 2005-01-05 CN disclosed
US-20040209912-A1 Substituted isoquinoline derivatives and their use as anticonvulsants SMITHKLINE BEECHAM P.L.C. 2004-10-21 US disclosed
EP-1042296-B1 SUBSTITUTED ISOQUINOLINE DERIVATIVES AND THEIR USE AS ANTICONVULSANTS SMITHKLINE BEECHAM PLC (GB) 2004-02-25 EP disclosed
US-20030144320-A1 For treatment and/or prevention of anxiety, mania, depression, panic disorders, nerve sustem disorders SMITHKLINE BEECHAM P.L.C. 2003-07-31 US disclosed
US-20010016657-A1 Substituted isoquinoline derivatives and their use as anticonvulsants SMITHKLINE BEECHAM P.L.C. 2001-08-23 US disclosed
US-6248754-B1 PSYCHOLOGICAL DISORDERS SMITHKLINE BEECHAM, P.L.C. (GB) 2001-06-19 US disclosed
US-6110934-A Substituted benzamide derivatives and their use as anticonvulsants SMITHKLINE BEECHAM P.L.C. (GB) 2000-08-29 US disclosed
CN-1255124-A Substituted isoquinoline derivatives and their use as anticonulsants SMITHKLINE BEECHAM PLC (GB) 2000-05-31 CN disclosed
EP-0968190-A1 SUBSTITUTED ISOQUINOLINE DERIVATIVES AND THEIR USE AS ANTICONVULSANTS SMITHKLINE BEECHAM PLC (GB) 2000-01-05 EP disclosed
EP-0906283-A1 SUBSTITUTED BENZAMIDE DERIVATIVES AND THEIR USE AS ANTICONVULSANTS SMITHKLINE BEECHAM PLC (GB) 1999-04-07 EP disclosed
WO-1998041508-A1 SUBSTITUTED ISOQUINOLINE DERIVATIVES AND THEIR USE AS ANTICONVULSANTS SMITHKLINE BEECHAM PLC (GB) 1998-09-24 WO disclosed
WO-1997048683-A1 SUBSTITUTED BENZAMIDE DERIVATIVES AND THEIR USE AS ANTICONVULSANTS SMITHKLINE BEECHAM PLC (GB) 1997-12-24 WO 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 (3 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-20040209912-A1 Substituted isoquinoline derivatives and their use as anticonvulsants INA, GRIN2C, GRIN2A FLT3 2127/4885MELK 2857/4885CAMK2G 217/4885
US-20010016657-A1 Substituted isoquinoline derivatives and their use as anticonvulsants INA, GRIN2C, GRIN2A FLT3 2127/4885MELK 2857/4885CAMK2G 217/4885
US-20030144320-A1 For treatment and/or prevention of anxiety, mania, depression, panic disorders, nerve sustem disorders PNMT, SLC6A2, GABBR1 FLT3 3764/4885MELK 2698/4885CAMK2G 1208/4885

“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.