SCHEMBL753107

SCHEMBL753107

Cc1ncc(Cc2ccc(F)cc2)cn1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 2/20 0.41
TAAR1 Q96RJ0 2/20 0.41
HTT P42858 1/20 0.41
MET P08581 2/20 0.40
AURKA O14965 1/20 0.40
ABL1 P00519 1/20 0.40
NTRK1 P04629 1/20 0.40
LCK P06239 1/20 0.40
CSF1R P07333 1/20 0.40
RET P07949 1/20 0.40
PDGFRB P09619 1/20 0.40
PIM1 P11309 1/20 0.40
PDGFRA P16234 1/20 0.40
FLT3 P36888 1/20 0.40
MAPK8 P45983 1/20 0.40
CDK8 P49336 1/20 0.40
MAP2K1 Q02750 1/20 0.40
MAP4K2 Q12851 1/20 0.40
ROCK1 Q13464 1/20 0.40
NTRK3 Q16288 1/20 0.40

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
SCHEMBL752453 0.83 HTR2A (0.49) GRM2TAAR1HTTMETAURKA
SCHEMBL755263 0.82 GRM2 (0.42) GRM2TAAR1HTTMETAURKA
SCHEMBL25171202 0.79 NPC1 (0.39) TAAR1HTTMETNPC1RAB9A
SCHEMBL13218155 0.79 TRPA1 (0.38) GRM2TAAR1METAURKAABL1
SCHEMBL18459204 0.78 CALM1 (0.55) TAAR1LMNA
SCHEMBL19591007 0.77 CYP11B1 (0.49) ALDH1A1HPGDMAPTLOXL2SMN1; SMN2
SCHEMBL1468357 0.76 IDO1 (0.58) TAAR1ALDH1A1LMNAIDO1LOXL2
SCHEMBL16561361 0.76 IDO1 (0.58) TAAR1ALDH1A1LMNAIDO1LOXL2
SCHEMBL753048 0.76 MAOA (0.41) GRM2TAAR1METNPC1RAB9A
SCHEMBL756391 0.76 HTR2C (0.41) GRM2METLMNAIDO1LOXL2

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 27 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2266958-B1 Antiviral agent SHIONOGI & CO (JP) 2017-03-15 EP disclosed
US-20170066754-A1 ANTIVIRAL AGENT SHIONOGI & CO., LTD. (JP) 2017-03-09 US disclosed
US-20170066754-A1 ANTIVIRAL AGENT SHIONOGI & CO., LTD. (JP) 2017-03-09 US disclosed
US-20170066754-A1 ANTIVIRAL AGENT SHIONOGI & CO., LTD. (JP) 2017-03-09 US disclosed
US-9572813-B2 Antiviral agent SHIONOGI & CO., LTD. (JP) 2017-02-21 US disclosed
US-9572813-B2 Antiviral agent SHIONOGI & CO., LTD. (JP) 2017-02-21 US disclosed
US-9572813-B2 Antiviral agent SHIONOGI & CO., LTD. (JP) 2017-02-21 US disclosed
EP-3042894-A1 ANTIVIRAL AGENT SHIONOGI & CO., LTD. (JP) 2016-07-13 EP disclosed
EP-3042894-A1 ANTIVIRAL AGENT SHIONOGI & CO., LTD. (JP) 2016-07-13 EP disclosed
US-20150202208-A1 ANTIVIRAL AGENT SHIONOGI & CO., LTD. (JP) 2015-07-23 US disclosed
EP-2266958-A1 Antiviral agent SHIONOGI & CO., LTD. (JP) 2010-12-29 EP disclosed
US-7745453-B2 Hydroxypyrimidinone derivatives having inhibitory activity against HIV integrase SHIONOGI & CO., LTD. (JP) 2010-06-29 US disclosed
EP-2181985-A1 Antiviral Agent SHIONOGI & CO., LTD. (JP) 2010-05-05 EP disclosed
EP-2181985-A1 Antiviral Agent SHIONOGI & CO., LTD. (JP) 2010-05-05 EP disclosed
CN-101513402-A Antiviral agent SHIONOGI & CO (JP) 2009-08-26 CN disclosed
CN-100491349-C Antiviral agent SHIONOGI & CO (JP) 2009-05-27 CN disclosed
US-20070149556-A1 Hydroxypyrimidinone derivatives having inhibitory activity against hiv integrase SHIONOGI & CO., LTD. (JP) 2007-06-28 US disclosed
CN-1558898-A Antiviral agent ��Ұ����ҩ��ʽ���� 2004-12-29 CN disclosed
US-20040229909-A1 Antiviral agent SHIONOGI & CO., LTD. (JP) 2004-11-18 US disclosed
EP-1422218-A1 ANTIVIRAL AGENT SHIONOGI & CO., LTD. (JP) 2004-05-26 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-20070149556-A1 Hydroxypyrimidinone derivatives having inhibitory activity against hiv integrase HAT1, SULT1A1, CDK20 GRM2 3592/4885TAAR1 3942/4885HTT 3291/4885
US-20040229909-A1 Antiviral agent ZC3HAV1, ZC3HAV1L, DUT GRM2 4664/4885TAAR1 4395/4885HTT 4561/4885
US-20150202208-A1 ANTIVIRAL AGENT ZC3HAV1, ZC3HAV1L, CCNI GRM2 4612/4885TAAR1 3797/4885HTT 4541/4885
US-20170066754-A1 ANTIVIRAL AGENT ZC3HAV1, ZC3HAV1L, CCNI GRM2 4612/4885TAAR1 3797/4885HTT 4541/4885

“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.